CID 87749152

(e)-1-hydroxy-2-nonene-4-one

Structural Information

Molecular Formula
C9H16O2
SMILES
CCCCCC(=O)/C=C/CO
InChI
InChI=1S/C9H16O2/c1-2-3-4-6-9(11)7-5-8-10/h5,7,10H,2-4,6,8H2,1H3/b7-5+
InChIKey
GLYROUYLKGPVGY-FNORWQNLSA-N
Compound name
(E)-1-hydroxynon-2-en-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

156.11504 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.12232 137.0
[M+Na]+ 179.10426 143.0
[M-H]- 155.10776 135.5
[M+NH4]+ 174.14886 157.4
[M+K]+ 195.07820 141.2
[M+H-H2O]+ 139.11230 132.3
[M+HCOO]- 201.11324 158.2
[M+CH3COO]- 215.12889 175.8
[M+Na-2H]- 177.08971 140.7
[M]+ 156.11449 138.3
[M]- 156.11559 138.3
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.