CID 9576751

3-oximino-2-pentanone

Structural Information

Molecular Formula
C5H9NO2
SMILES
CC/C(=N\O)/C(=O)C
InChI
InChI=1S/C5H9NO2/c1-3-5(6-8)4(2)7/h8H,3H2,1-2H3/b6-5+
InChIKey
KKJVJCIOIRIFFK-AATRIKPKSA-N
Compound name
(3E)-3-hydroxyiminopentan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

115.06333 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 116.07061 123.3
[M+Na]+ 138.05255 132.2
[M+NH4]+ 133.09715 130.4
[M+K]+ 154.02649 128.4
[M-H]- 114.05605 122.2
[M+Na-2H]- 136.03800 126.4
[M]+ 115.06278 123.8
[M]- 115.06388 123.8
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