CID 12857058

87362-54-7

Structural Information

Molecular Formula
C12H20O2
SMILES
CC(=O)OC12CCCC(C1)(CCC2)C
InChI
InChI=1S/C12H20O2/c1-10(13)14-12-7-3-5-11(2,9-12)6-4-8-12/h3-9H2,1-2H3
InChIKey
DMDVOAUYGOGXRN-UHFFFAOYSA-N
Compound name
(5-methyl-1-bicyclo[3.3.1]nonanyl) acetate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

196.14633 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.15361 146.8
[M+Na]+ 219.13555 151.6
[M-H]- 195.13905 148.7
[M+NH4]+ 214.18015 171.4
[M+K]+ 235.10949 150.3
[M+H-H2O]+ 179.14359 142.0
[M+HCOO]- 241.14453 162.3
[M+CH3COO]- 255.16018 183.5
[M+Na-2H]- 217.12100 153.4
[M]+ 196.14578 143.4
[M]- 196.14688 143.4
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.