CID 9554225

2-oxopentanal 1-oxime

Structural Information

Molecular Formula
C5H9NO2
SMILES
CCCC(=O)/C=N/O
InChI
InChI=1S/C5H9NO2/c1-2-3-5(7)4-6-8/h4,8H,2-3H2,1H3/b6-4+
InChIKey
UVJDVGWLIBOWQP-GQCTYLIASA-N
Compound name
(1E)-1-hydroxyiminopentan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

115.06333 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 116.07061 122.9
[M+Na]+ 138.05255 132.2
[M+NH4]+ 133.09715 130.1
[M+K]+ 154.02649 127.5
[M-H]- 114.05605 122.0
[M+Na-2H]- 136.03800 126.4
[M]+ 115.06278 123.5
[M]- 115.06388 123.5
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

No patent data available for this compound.