CID 9602163

199434-50-9

Structural Information

Molecular Formula
C4H7NO3
SMILES
C/C(=N\O)/C(=O)OC
InChI
InChI=1S/C4H7NO3/c1-3(5-7)4(6)8-2/h7H,1-2H3/b5-3+
InChIKey
GXUGQCNCLMAZCH-HWKANZROSA-N
Compound name
methyl (2E)-2-hydroxyiminopropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

117.042595 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 118.04987 120.5
[M+Na]+ 140.03181 128.0
[M-H]- 116.03532 121.4
[M+NH4]+ 135.07642 142.8
[M+K]+ 156.00575 129.3
[M+H-H2O]+ 100.03986 115.9
[M+HCOO]- 162.04080 145.2
[M+CH3COO]- 176.05645 170.4
[M+Na-2H]- 138.01726 126.4
[M]+ 117.04205 121.7
[M]- 117.04314 121.7
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