CID 6861450

Methyl 2-cyano-2-(hydroxyimino)-acetate

Structural Information

Molecular Formula
C4H4N2O3
SMILES
COC(=O)/C(=N/O)/C#N
InChI
InChI=1S/C4H4N2O3/c1-9-4(7)3(2-5)6-8/h8H,1H3/b6-3+
InChIKey
ZTUBRMAHOKWHCL-ZZXKWVIFSA-N
Compound name
methyl (2E)-2-cyano-2-hydroxyiminoacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

128.02219 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 129.029466 123.4
[M+Na]+ 151.011408 132.2
[M-H]- 127.014914 124.5
[M+NH4]+ 146.056013 142.8
[M+K]+ 166.985348 133.5
[M+H-H2O]+ 111.019450 111.9
[M+HCOO]- 173.020391 144.3
[M+CH3COO]- 187.036041 185.0
[M+Na-2H]- 148.996856 128.9
[M]+ 128.02164142 119.4
[M]- 128.02273858 119.4
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

patents stripe