CID 101413668

(2s,4r)-p-mentha-1(7),5-dien-2-ol acetate

Structural Information

Molecular Formula
C12H18O2
SMILES
CC(C)C1CC(C(=C)C=C1)OC(=O)C
InChI
InChI=1S/C12H18O2/c1-8(2)11-6-5-9(3)12(7-11)14-10(4)13/h5-6,8,11-12H,3,7H2,1-2,4H3
InChIKey
FOSCFYGDBSMRFI-UHFFFAOYSA-N
Compound name
(2-methylidene-5-propan-2-ylcyclohex-3-en-1-yl) acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

194.13068 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.13796 145.0
[M+Na]+ 217.11990 155.8
[M+NH4]+ 212.16450 152.8
[M+K]+ 233.09384 150.3
[M-H]- 193.12340 146.2
[M+Na-2H]- 215.10535 148.9
[M]+ 194.13013 146.7
[M]- 194.13123 146.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.