CID 14075615

57336-69-3

Structural Information

Molecular Formula
C4H4N2O3
SMILES
CO/N=C(/C#N)\C(=O)O
InChI
InChI=1S/C4H4N2O3/c1-9-6-3(2-5)4(7)8/h1H3,(H,7,8)/b6-3-
InChIKey
LWZMFXQOIDFKQJ-UTCJRWHESA-N
Compound name
(2Z)-2-cyano-2-methoxyiminoacetic acid
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

21
Patents

128.02219 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 129.02947 123.0
[M+Na]+ 151.01141 131.8
[M-H]- 127.01491 124.1
[M+NH4]+ 146.05601 142.4
[M+K]+ 166.98535 133.0
[M+H-H2O]+ 111.01945 111.6
[M+HCOO]- 173.02039 144.0
[M+CH3COO]- 187.03604 185.6
[M+Na-2H]- 148.99686 128.6
[M]+ 128.02164 119.1
[M]- 128.02274 119.1
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