CID 102608

1335-18-8

Structural Information

Molecular Formula
C12H20O2
SMILES
CC1C=CCC(C1OC(=O)C)C(C)C
InChI
InChI=1S/C12H20O2/c1-8(2)11-7-5-6-9(3)12(11)14-10(4)13/h5-6,8-9,11-12H,7H2,1-4H3
InChIKey
GMVRLXZSTVULKI-UHFFFAOYSA-N
Compound name
(2-methyl-6-propan-2-ylcyclohex-3-en-1-yl) acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

196.14633 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.15361 145.1
[M+Na]+ 219.13555 150.9
[M-H]- 195.13905 148.4
[M+NH4]+ 214.18015 164.9
[M+K]+ 235.10949 150.2
[M+H-H2O]+ 179.14359 139.7
[M+HCOO]- 241.14453 164.5
[M+CH3COO]- 255.16018 187.6
[M+Na-2H]- 217.12100 146.0
[M]+ 196.14578 144.9
[M]- 196.14688 144.9
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.