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]+ 197.153606 146.8
[M+Na]+ 219.135548 151.6
[M-H]- 195.139054 148.7
[M+NH4]+ 214.180153 171.4
[M+K]+ 235.109488 150.3
[M+H-H2O]+ 179.143590 142.0
[M+HCOO]- 241.144531 162.3
[M+CH3COO]- 255.160181 183.5
[M+Na-2H]- 217.120996 153.4
[M]+ 196.14578142 143.4
[M]- 196.14687858 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.