CID 3016266

2-cyclohexen-1-yl isovalerate

Structural Information

Molecular Formula
C11H18O2
SMILES
CC(C)CC(=O)OC1CCCC=C1
InChI
InChI=1S/C11H18O2/c1-9(2)8-11(12)13-10-6-4-3-5-7-10/h4,6,9-10H,3,5,7-8H2,1-2H3
InChIKey
VTPOVJAZJFDVMX-UHFFFAOYSA-N
Compound name
cyclohex-2-en-1-yl 3-methylbutanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

182.13068 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.137956 142.7
[M+Na]+ 205.119898 147.0
[M-H]- 181.123404 145.4
[M+NH4]+ 200.164503 162.3
[M+K]+ 221.093838 146.4
[M+H-H2O]+ 165.127940 136.8
[M+HCOO]- 227.128881 162.4
[M+CH3COO]- 241.144531 182.3
[M+Na-2H]- 203.105346 145.3
[M]+ 182.13013142 141.3
[M]- 182.13122858 141.3
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.