CID 6436625

2,4,6-nonatrienal

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-QMGPHSPGSA-N
Compound name
(2Z,4Z,6Z)-nona-2,4,6-trienal
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

2
References

109
Patents

136.08882 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 137.09610 129.4
[M+Na]+ 159.07804 136.9
[M-H]- 135.08154 129.5
[M+NH4]+ 154.12264 151.5
[M+K]+ 175.05198 134.1
[M+H-H2O]+ 119.08608 125.0
[M+HCOO]- 181.08702 153.4
[M+CH3COO]- 195.10267 172.7
[M+Na-2H]- 157.06349 135.2
[M]+ 136.08827 130.3
[M]- 136.08937 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.