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

53
Patents

114.04293 Da
Monoisotopic Mass

-3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 115.05021 121.2
[M+Na]+ 137.03215 129.6
[M-H]- 113.03565 121.0
[M+NH4]+ 132.07675 140.6
[M+K]+ 153.00609 129.7
[M+H-H2O]+ 97.040190 110.1
[M+HCOO]- 159.04113 141.3
[M+CH3COO]- 173.05678 182.0
[M+Na-2H]- 135.01760 127.4
[M]+ 114.04238 115.6
[M]- 114.04348 115.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.