CID 77519

3916-40-3

Structural Information

Molecular Formula

C₁₂H₁₀N₂O₅

SMILES

C1=CC=C2C(=C1)C(=O)N(C2=O)CC(=O)NCC(=O)O

InChI

InChI=1S/C12H10N2O5/c15-9(13-5-10(16)17)6-14-11(18)7-3-1-2-4-8(7)12(14)19/h1-4H,5-6H2,(H,13,15)(H,16,17)

InChIKey

GGZCEFKSVHSZHT-UHFFFAOYSA-N

Compound name

2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 54
Patents: 262.05896 Da
Monoisotopic Mass: -0.2
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]+	263.066236	153.6
[M+Na]+	285.048178	161.4
[M-H]-	261.051684	155.8
[M+NH4]+	280.092783	170.6
[M+K]+	301.022118	158.9
[M+H-H2O]+	245.056220	147.3
[M+HCOO]-	307.057161	174.3
[M+CH3COO]-	321.072811	195.2
[M+Na-2H]-	283.033626	156.0
[M]+	262.05841142	154.8
[M]-	262.05950858	154.8

Literature stripe

literature stripe

Patent stripe

patents stripe