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 143.4
[M+Na]+ 217.11990 149.5
[M-H]- 193.12340 146.8
[M+NH4]+ 212.16450 163.2
[M+K]+ 233.09384 148.2
[M+H-H2O]+ 177.12794 138.1
[M+HCOO]- 239.12888 163.0
[M+CH3COO]- 253.14453 186.8
[M+Na-2H]- 215.10535 144.4
[M]+ 194.13013 142.5
[M]- 194.13123 142.5
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.