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]+ 195.137956 144.5
[M+Na]+ 217.119898 149.5
[M-H]- 193.123404 147.4
[M+NH4]+ 212.164503 163.8
[M+K]+ 233.093838 148.2
[M+H-H2O]+ 177.127940 138.8
[M+HCOO]- 239.128881 164.0
[M+CH3COO]- 253.144531 186.2
[M+Na-2H]- 215.105346 146.0
[M]+ 194.13013142 143.2
[M]- 194.13122858 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.