CID 103797

53510-40-0

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 145.8
[M+Na]+ 215.14063 150.5
[M-H]- 191.14413 148.6
[M+NH4]+ 210.18523 165.3
[M+K]+ 231.11457 148.4
[M+H-H2O]+ 175.14867 140.1
[M+HCOO]- 237.14961 164.8
[M+CH3COO]- 251.16526 187.3
[M+Na-2H]- 213.12608 146.8
[M]+ 192.15086 143.5
[M]- 192.15196 143.5
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.