CID 106880

Octahydroeugenyl acetate

Structural Information

Molecular Formula
C12H22O3
SMILES
CCCC1CCC(C(C1)OC)OC(=O)C
InChI
InChI=1S/C12H22O3/c1-4-5-10-6-7-11(15-9(2)13)12(8-10)14-3/h10-12H,4-8H2,1-3H3
InChIKey
DCHIIKAIQRAGHB-UHFFFAOYSA-N
Compound name
(2-methoxy-4-propylcyclohexyl) acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

214.15689 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.16417 150.3
[M+Na]+ 237.14611 155.2
[M-H]- 213.14961 153.1
[M+NH4]+ 232.19071 169.2
[M+K]+ 253.12005 154.8
[M+H-H2O]+ 197.15415 144.5
[M+HCOO]- 259.15509 169.4
[M+CH3COO]- 273.17074 189.2
[M+Na-2H]- 235.13156 151.4
[M]+ 214.15634 150.8
[M]- 214.15744 150.8
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.