CID 6366045

2,4,5-trimethylhepta-2,6-dienal

Structural Information

Molecular Formula
C10H16O
SMILES
CC(C=C)C(C)/C=C(\C)/C=O
InChI
InChI=1S/C10H16O/c1-5-9(3)10(4)6-8(2)7-11/h5-7,9-10H,1H2,2-4H3/b8-6+
InChIKey
JPZHEFRWMYVYQE-SOFGYWHQSA-N
Compound name
(2E)-2,4,5-trimethylhepta-2,6-dienal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

152.12012 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.12740 135.7
[M+Na]+ 175.10934 141.7
[M-H]- 151.11284 135.8
[M+NH4]+ 170.15394 157.0
[M+K]+ 191.08328 140.5
[M+H-H2O]+ 135.11738 131.3
[M+HCOO]- 197.11832 156.2
[M+CH3COO]- 211.13397 180.4
[M+Na-2H]- 173.09479 137.2
[M]+ 152.11957 135.9
[M]- 152.12067 135.9
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.