CID 63310611

1341969-00-3

Structural Information

Molecular Formula

C₂₀H₂₁NO₅

SMILES

COCCN(CC(=O)O)C(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13

InChI

InChI=1S/C20H21NO5/c1-25-11-10-21(12-19(22)23)20(24)26-13-18-16-8-4-2-6-14(16)15-7-3-5-9-17(15)18/h2-9,18H,10-13H2,1H3,(H,22,23)

InChIKey

JMZNWGXELFZOKV-UHFFFAOYSA-N

Compound name

2-[9H-fluoren-9-ylmethoxycarbonyl(2-methoxyethyl)amino]acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 355.14197 Da
Monoisotopic Mass: 2.7
XlogP (predicted)

Profile

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]+	356.149246	183.3
[M+Na]+	378.131188	188.3
[M-H]-	354.134694	188.1
[M+NH4]+	373.175793	199.1
[M+K]+	394.105128	186.1
[M+H-H2O]+	338.139230	175.9
[M+HCOO]-	400.140171	203.7
[M+CH3COO]-	414.155821	216.6
[M+Na-2H]-	376.116636	185.2
[M]+	355.14142142	188.9
[M]-	355.14251858	188.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe