CID 3023295

4-(1-methylvinyl)cyclohex-1-ene-1-ethyl formate

Structural Information

Molecular Formula
C12H18O2
SMILES
CC(C1=CCC(CC1)C(=C)C)OC=O
InChI
InChI=1S/C12H18O2/c1-9(2)11-4-6-12(7-5-11)10(3)14-8-13/h6,8,10-11H,1,4-5,7H2,2-3H3
InChIKey
UODVCNJOOYRCHL-UHFFFAOYSA-N
Compound name
1-(4-prop-1-en-2-ylcyclohexen-1-yl)ethyl formate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

194.13068 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.13796 144.5
[M+Na]+ 217.11990 149.5
[M-H]- 193.12340 147.4
[M+NH4]+ 212.16450 163.8
[M+K]+ 233.09384 148.2
[M+H-H2O]+ 177.12794 138.8
[M+HCOO]- 239.12888 164.0
[M+CH3COO]- 253.14453 186.2
[M+Na-2H]- 215.10535 146.0
[M]+ 194.13013 143.2
[M]- 194.13123 143.2
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.