CID 11457668

2-(methoxyimino)acetic acid

Structural Information

Molecular Formula
C3H5NO3
SMILES
CO/N=C/C(=O)O
InChI
InChI=1S/C3H5NO3/c1-7-4-2-3(5)6/h2H,1H3,(H,5,6)/b4-2+
InChIKey
MIHIJWOEDDPOLG-DUXPYHPUSA-N
Compound name
(2E)-2-methoxyiminoacetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

551
Patents

103.02694 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 104.034216 115.2
[M+Na]+ 126.016158 123.2
[M-H]- 102.019664 116.1
[M+NH4]+ 121.060763 138.0
[M+K]+ 141.990098 124.4
[M+H-H2O]+ 86.024200 110.7
[M+HCOO]- 148.025141 141.2
[M+CH3COO]- 162.040791 167.1
[M+Na-2H]- 124.001606 122.9
[M]+ 103.02639142 116.8
[M]- 103.02748858 116.8
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