PubChemLite - 2137931-61-2 (C27H32N2O6)

Structural Information

Molecular Formula

SMILES

CC(C)(C)OC(=O)NCC1(CCN(CC1)C(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24)C(=O)O

InChI

InChI=1S/C27H32N2O6/c1-26(2,3)35-24(32)28-17-27(23(30)31)12-14-29(15-13-27)25(33)34-16-22-20-10-6-4-8-18(20)19-9-5-7-11-21(19)22/h4-11,22H,12-17H2,1-3H3,(H,28,32)(H,30,31)

InChIKey

OPSYDYRBLZGHTI-UHFFFAOYSA-N

Compound name

1-(9H-fluoren-9-ylmethoxycarbonyl)-4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]piperidine-4-carboxylic acid

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	481.23332	215.8
[M+Na]+	503.21526	217.8
[M-H]-	479.21876	220.0
[M+NH4]+	498.25986	226.0
[M+K]+	519.18920	215.1
[M+H-H2O]+	463.22330	207.7
[M+HCOO]-	525.22424	226.5
[M+CH3COO]-	539.23989	235.7
[M+Na-2H]-	501.20071	215.9
[M]+	480.22549	216.5
[M]-	480.22659	216.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

481.23332

215.8

[M+Na]+

503.21526

217.8

[M-H]-

479.21876

220.0

[M+NH4]+

498.25986

226.0

[M+K]+

519.18920

215.1

[M+H-H2O]+

463.22330

207.7

[M+HCOO]-

525.22424

226.5

[M+CH3COO]-

539.23989

235.7

[M+Na-2H]-

501.20071

215.9

[M]+

480.22549

216.5

[M]-

480.22659

216.5

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

2137931-61-2

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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