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

5
Patents

196.14633 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.153606 146.5
[M+Na]+ 219.135548 153.2
[M-H]- 195.139054 149.1
[M+NH4]+ 214.180153 173.3
[M+K]+ 235.109488 151.5
[M+H-H2O]+ 179.143590 142.9
[M+HCOO]- 241.144531 164.2
[M+CH3COO]- 255.160181 184.2
[M+Na-2H]- 217.120996 151.2
[M]+ 196.14578142 145.6
[M]- 196.14687858 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