CID 175301

72928-28-0

Structural Information

Molecular Formula
C13H20O
SMILES
CC1=CCC(CC1C(C)C=O)C(=C)C
InChI
InChI=1S/C13H20O/c1-9(2)12-6-5-10(3)13(7-12)11(4)8-14/h5,8,11-13H,1,6-7H2,2-4H3
InChIKey
PBEWYCCRRKCGGW-UHFFFAOYSA-N
Compound name
2-(2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-yl)propanal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

192.15141 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.158686 144.5
[M+Na]+ 215.140628 150.2
[M-H]- 191.144134 147.7
[M+NH4]+ 210.185233 164.3
[M+K]+ 231.114568 148.1
[M+H-H2O]+ 175.148670 139.2
[M+HCOO]- 237.149611 163.5
[M+CH3COO]- 251.165261 188.4
[M+Na-2H]- 213.126076 145.0
[M]+ 192.15086142 142.6
[M]- 192.15195858 142.6
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.