CID 5370098

2,6-heptadienal, 2,4-dimethyl-, (2e)-

Structural Information

Molecular Formula
C9H14O
SMILES
CC(CC=C)/C=C(\C)/C=O
InChI
InChI=1S/C9H14O/c1-4-5-8(2)6-9(3)7-10/h4,6-8H,1,5H2,2-3H3/b9-6+
InChIKey
MIHSPYMZXYONJN-RMKNXTFCSA-N
Compound name
(2E)-2,4-dimethylhepta-2,6-dienal
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

389
Patents

138.10446 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 139.111736 131.2
[M+Na]+ 161.093678 137.8
[M-H]- 137.097184 131.4
[M+NH4]+ 156.138283 153.0
[M+K]+ 177.067618 136.4
[M+H-H2O]+ 121.101720 126.9
[M+HCOO]- 183.102661 153.0
[M+CH3COO]- 197.118311 176.5
[M+Na-2H]- 159.079126 134.4
[M]+ 138.10391142 131.7
[M]- 138.10500858 131.7
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

patents stripe