CID 15755823

57018-53-8

Structural Information

Molecular Formula
C9H12O
SMILES
CC/C=C/C=C/C=C/C=O
InChI
InChI=1S/C9H12O/c1-2-3-4-5-6-7-8-9-10/h3-9H,2H2,1H3/b4-3+,6-5+,8-7+
InChIKey
XHDSWFFUGPJMMN-ARQDATDDSA-N
Compound name
(2E,4E,6E)-nona-2,4,6-trienal
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

2
References

96
Patents

136.08882 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 137.096096 129.4
[M+Na]+ 159.078038 136.9
[M-H]- 135.081544 129.5
[M+NH4]+ 154.122643 151.5
[M+K]+ 175.051978 134.1
[M+H-H2O]+ 119.086080 125.0
[M+HCOO]- 181.087021 153.4
[M+CH3COO]- 195.102671 172.7
[M+Na-2H]- 157.063486 135.2
[M]+ 136.08827142 130.3
[M]- 136.08936858 130.3
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.