CID 106455

2-butenoic acid, 2-cyclohexylethenyl ester

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
1
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]+ 195.13796 146.5
[M+Na]+ 217.11990 150.3
[M-H]- 193.12340 148.7
[M+NH4]+ 212.16450 165.6
[M+K]+ 233.09384 148.1
[M+H-H2O]+ 177.12794 140.5
[M+HCOO]- 239.12888 165.8
[M+CH3COO]- 253.14453 181.8
[M+Na-2H]- 215.10535 148.9
[M]+ 194.13013 143.1
[M]- 194.13123 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.