CID 231930

2-(1-methylcyclohexyl)ethanol

Structural Information

Molecular Formula
C9H18O
SMILES
CC1(CCCCC1)CCO
InChI
InChI=1S/C9H18O/c1-9(7-8-10)5-3-2-4-6-9/h10H,2-8H2,1H3
InChIKey
GAKMZGKJBROLQA-UHFFFAOYSA-N
Compound name
2-(1-methylcyclohexyl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

47
Patents

142.13577 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.14305 133.6
[M+Na]+ 165.12499 138.3
[M-H]- 141.12849 135.0
[M+NH4]+ 160.16959 156.2
[M+K]+ 181.09893 137.0
[M+H-H2O]+ 125.13303 129.1
[M+HCOO]- 187.13397 152.5
[M+CH3COO]- 201.14962 171.4
[M+Na-2H]- 163.11044 139.3
[M]+ 142.13522 129.0
[M]- 142.13632 129.0
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

patents stripe