CID 106455

68039-68-9

Structural Information

Molecular Formula
C12H18O2
SMILES
CC=CC(=O)OC=CC1CCCCC1
InChI
InChI=1S/C12H18O2/c1-2-6-12(13)14-10-9-11-7-4-3-5-8-11/h2,6,9-11H,3-5,7-8H2,1H3
InChIKey
CXPCFXOZPWMTLS-UHFFFAOYSA-N
Compound name
2-cyclohexylethenyl but-2-enoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

194.13068 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.137956 146.5
[M+Na]+ 217.119898 150.3
[M-H]- 193.123404 148.7
[M+NH4]+ 212.164503 165.6
[M+K]+ 233.093838 148.1
[M+H-H2O]+ 177.127940 140.5
[M+HCOO]- 239.128881 165.8
[M+CH3COO]- 253.144531 181.8
[M+Na-2H]- 215.105346 148.9
[M]+ 194.13013142 143.1
[M]- 194.13122858 143.1
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.