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

45
Patents

142.13577 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.143046 133.6
[M+Na]+ 165.124988 138.3
[M-H]- 141.128494 135.0
[M+NH4]+ 160.169593 156.2
[M+K]+ 181.098928 137.0
[M+H-H2O]+ 125.133030 129.1
[M+HCOO]- 187.133971 152.5
[M+CH3COO]- 201.149621 171.4
[M+Na-2H]- 163.110436 139.3
[M]+ 142.13522142 129.0
[M]- 142.13631858 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