PubChemLite - 254881-90-8 (C16H28N2O6)

Structural Information

Molecular Formula

SMILES

CC(C)(C)OC(=O)NC[C@@H]1C[C@H](N(C1)C(=O)OC(C)(C)C)C(=O)O

InChI

InChI=1S/C16H28N2O6/c1-15(2,3)23-13(21)17-8-10-7-11(12(19)20)18(9-10)14(22)24-16(4,5)6/h10-11H,7-9H2,1-6H3,(H,17,21)(H,19,20)/t10-,11-/m0/s1

InChIKey

CJWQFOAHXWHOGR-QWRGUYRKSA-N

Compound name

(2S,4S)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]pyrrolidine-2-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]+	345.20201	180.5
[M+Na]+	367.18395	183.9
[M-H]-	343.18745	181.0
[M+NH4]+	362.22855	193.6
[M+K]+	383.15789	184.5
[M+H-H2O]+	327.19199	175.2
[M+HCOO]-	389.19293	194.7
[M+CH3COO]-	403.20858	210.1
[M+Na-2H]-	365.16940	179.5
[M]+	344.19418	182.7
[M]-	344.19528	182.7

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

345.20201

180.5

[M+Na]+

367.18395

183.9

[M-H]-

343.18745

181.0

[M+NH4]+

362.22855

193.6

[M+K]+

383.15789

184.5

[M+H-H2O]+

327.19199

175.2

[M+HCOO]-

389.19293

194.7

[M+CH3COO]-

403.20858

210.1

[M+Na-2H]-

365.16940

179.5

[M]+

344.19418

182.7

[M]-

344.19528

182.7

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

254881-90-8

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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