CID 87646

1-(4-methylcyclohexyl)ethanol

Structural Information

Molecular Formula
C9H18O
SMILES
CC1CCC(CC1)C(C)O
InChI
InChI=1S/C9H18O/c1-7-3-5-9(6-4-7)8(2)10/h7-10H,3-6H2,1-2H3
InChIKey
KAUADGCMTGZSPE-UHFFFAOYSA-N
Compound name
1-(4-methylcyclohexyl)ethanol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

65
Patents

142.13577 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.143046 133.3
[M+Na]+ 165.124988 137.9
[M-H]- 141.128494 134.9
[M+NH4]+ 160.169593 154.3
[M+K]+ 181.098928 136.8
[M+H-H2O]+ 125.133030 128.4
[M+HCOO]- 187.133971 151.2
[M+CH3COO]- 201.149621 173.8
[M+Na-2H]- 163.110436 136.1
[M]+ 142.13522142 128.2
[M]- 142.13631858 128.2
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

patents stripe