CID 178244277

2-hydroxy-n-(2-methylbut-2-enoyl)-2-oxoethanimine oxide

Structural Information

Molecular Formula
C7H9NO4
SMILES
CC=C(C)C(=O)[N+](=CC(=O)O)[O-]
InChI
InChI=1S/C7H9NO4/c1-3-5(2)7(11)8(12)4-6(9)10/h3-4H,1-2H3,(H,9,10)
InChIKey
RGDBVDKIWPTSIM-UHFFFAOYSA-N
Compound name
2-hydroxy-N-(2-methylbut-2-enoyl)-2-oxoethanimine oxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

171.05316 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.060436 134.8
[M+Na]+ 194.042378 141.0
[M-H]- 170.045884 134.0
[M+NH4]+ 189.086983 153.7
[M+K]+ 210.016318 136.2
[M+H-H2O]+ 154.050420 135.2
[M+HCOO]- 216.051361 156.4
[M+CH3COO]- 230.067011 169.5
[M+Na-2H]- 192.027826 138.2
[M]+ 171.05261142 132.1
[M]- 171.05370858 132.1
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

No patent data available for this compound.