CID 9576782

Pentane-2,3-dione 2-oxime

Structural Information

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

2D Structure

compound 2d structure
2
Annotation Hits

0
References

217
Patents

115.06333 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 116.070606 122.3
[M+Na]+ 138.052548 129.3
[M-H]- 114.056054 123.0
[M+NH4]+ 133.097153 144.7
[M+K]+ 154.026488 129.9
[M+H-H2O]+ 98.060590 117.7
[M+HCOO]- 160.061531 146.4
[M+CH3COO]- 174.077181 172.0
[M+Na-2H]- 136.037996 127.6
[M]+ 115.06278142 122.5
[M]- 115.06387858 122.5
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

patents stripe