CID 9561178

Levulinic acid, oxime, ethyl ester

Structural Information

Molecular Formula
C7H13NO3
SMILES
CCOC(=O)CC/C(=N/O)/C
InChI
InChI=1S/C7H13NO3/c1-3-11-7(9)5-4-6(2)8-10/h10H,3-5H2,1-2H3/b8-6+
InChIKey
CQHODIYUGCTFHA-SOFGYWHQSA-N
Compound name
ethyl (4E)-4-hydroxyiminopentanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

159.08954 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.09682 134.6
[M+Na]+ 182.07876 140.8
[M-H]- 158.08226 134.9
[M+NH4]+ 177.12336 155.2
[M+K]+ 198.05270 141.4
[M+H-H2O]+ 142.08680 129.4
[M+HCOO]- 204.08774 158.3
[M+CH3COO]- 218.10339 179.5
[M+Na-2H]- 180.06421 138.9
[M]+ 159.08899 137.0
[M]- 159.09009 137.0
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.