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
1
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 148.1
[M+Na]+ 219.13555 157.7
[M+NH4]+ 214.18015 160.3
[M+K]+ 235.10949 147.5
[M-H]- 195.13905 149.3
[M+Na-2H]- 217.12100 153.5
[M]+ 196.14578 150.0
[M]- 196.14688 150.0
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.