CID 103797

3-(4-isopropenyl-1-cyclohexen-1-yl)-2-methylpropanal

Structural Information

Molecular Formula
C13H20O
SMILES
CC(CC1=CCC(CC1)C(=C)C)C=O
InChI
InChI=1S/C13H20O/c1-10(2)13-6-4-12(5-7-13)8-11(3)9-14/h4,9,11,13H,1,5-8H2,2-3H3
InChIKey
OSGZAYGTABWPMB-UHFFFAOYSA-N
Compound name
2-methyl-3-(4-prop-1-en-2-ylcyclohexen-1-yl)propanal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

192.15141 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.15869 147.0
[M+Na]+ 215.14063 157.7
[M+NH4]+ 210.18523 155.1
[M+K]+ 231.11457 151.1
[M-H]- 191.14413 148.6
[M+Na-2H]- 213.12608 151.3
[M]+ 192.15086 148.8
[M]- 192.15196 148.8
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.