CID 21156096

72987-61-2

Structural Information

Molecular Formula
C12H22O
SMILES
CC1CCCC(C1O)C2CCCC2
InChI
InChI=1S/C12H22O/c1-9-5-4-8-11(12(9)13)10-6-2-3-7-10/h9-13H,2-8H2,1H3
InChIKey
JMAQPZWRUIHRQH-UHFFFAOYSA-N
Compound name
2-cyclopentyl-6-methylcyclohexan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

182.16707 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.17435 145.0
[M+Na]+ 205.15629 148.7
[M-H]- 181.15979 149.2
[M+NH4]+ 200.20089 165.9
[M+K]+ 221.13023 146.1
[M+H-H2O]+ 165.16433 139.3
[M+HCOO]- 227.16527 162.2
[M+CH3COO]- 241.18092 179.4
[M+Na-2H]- 203.14174 144.7
[M]+ 182.16652 137.2
[M]- 182.16762 137.2
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.