CID 151409

Amino(cyano)acetate

Structural Information

Molecular Formula
C3H4N2O2
SMILES
C(#N)[C@@H](C(=O)O)N
InChI
InChI=1S/C3H4N2O2/c4-1-2(5)3(6)7/h2H,5H2,(H,6,7)/t2-/m0/s1
InChIKey
RQMFZXWHCJWDQQ-REOHCLBHSA-N
Compound name
(2S)-2-amino-2-cyanoacetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

10
Patents

100.027275 Da
Monoisotopic Mass

-3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 101.03455 119.5
[M+Na]+ 123.01649 128.1
[M-H]- 99.019999 119.1
[M+NH4]+ 118.06110 139.1
[M+K]+ 138.99043 128.5
[M+H-H2O]+ 83.024535 108.6
[M+HCOO]- 145.02548 138.4
[M+CH3COO]- 159.04113 179.5
[M+Na-2H]- 121.00194 123.9
[M]+ 100.02673 112.0
[M]- 100.02782 112.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe