CID 14445623

N-(cyanomethyl)glycinate

Structural Information

Molecular Formula

C₄H₆N₂O₂

SMILES

C(C#N)NCC(=O)O

InChI

InChI=1S/C4H6N2O2/c5-1-2-6-3-4(7)8/h6H,2-3H2,(H,7,8)

InChIKey

QGLKBDIZFCYGIX-UHFFFAOYSA-N

Compound name

2-(cyanomethylamino)acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 46
Patents: 114.04293 Da
Monoisotopic Mass: -3.1
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]+	115.05021	123.8
[M+Na]+	137.03215	132.1
[M+NH4]+	132.07675	127.2
[M+K]+	153.00609	125.3
[M-H]-	113.03565	115.5
[M+Na-2H]-	135.01760	124.6
[M]+	114.04238	121.3
[M]-	114.04348	121.3

Literature stripe

literature stripe

Patent stripe

patents stripe