CID 173489

75911-79-4

Structural Information

Molecular Formula
C12H20O2
SMILES
CC(=O)OC1C2(CCCC1(CC2)C)C
InChI
InChI=1S/C12H20O2/c1-9(13)14-10-11(2)5-4-6-12(10,3)8-7-11/h10H,4-8H2,1-3H3
InChIKey
PWMCEJOFYWFVPA-UHFFFAOYSA-N
Compound name
(1,5-dimethyl-8-bicyclo[3.2.1]octanyl) acetate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

6
Patents

196.14633 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.15361 146.5
[M+Na]+ 219.13555 153.2
[M-H]- 195.13905 149.1
[M+NH4]+ 214.18015 173.3
[M+K]+ 235.10949 151.5
[M+H-H2O]+ 179.14359 142.9
[M+HCOO]- 241.14453 164.2
[M+CH3COO]- 255.16018 184.2
[M+Na-2H]- 217.12100 151.2
[M]+ 196.14578 145.6
[M]- 196.14688 145.6
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

patents stripe