CID 21255984

2-cyano-2-(hydroxyimino)acetic acid hydrate

Structural Information

Molecular Formula
C3H2N2O3
SMILES
C(#N)/C(=N/O)/C(=O)O
InChI
InChI=1S/C3H2N2O3/c4-1-2(5-8)3(6)7/h8H,(H,6,7)/b5-2-
InChIKey
CNEFRTDDIMNTHC-DJWKRKHSSA-N
Compound name
(2Z)-2-cyano-2-hydroxyiminoacetic acid
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

45
Patents

114.00654 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 115.01382 120.7
[M+Na]+ 136.99576 129.5
[M-H]- 112.99926 120.7
[M+NH4]+ 132.04036 139.9
[M+K]+ 152.96970 130.2
[M+H-H2O]+ 97.003800 109.6
[M+HCOO]- 159.00474 140.6
[M+CH3COO]- 173.02039 180.5
[M+Na-2H]- 134.98121 126.1
[M]+ 114.00599 114.7
[M]- 114.00709 114.7
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