CID 21255984

Cyano(hydroxyimino)formic acid

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: 1
References: 633
Patents: 114.00654 Da
Monoisotopic Mass: 0.6
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]+	115.013816	120.7
[M+Na]+	136.995758	129.5
[M-H]-	112.999264	120.7
[M+NH4]+	132.040363	139.9
[M+K]+	152.969698	130.2
[M+H-H2O]+	97.003800	109.6
[M+HCOO]-	159.004741	140.6
[M+CH3COO]-	173.020391	180.5
[M+Na-2H]-	134.981206	126.1
[M]+	114.00599142	114.7
[M]-	114.00708858	114.7

Literature stripe

literature stripe

Patent stripe

patents stripe