CID 141103

2-(1-hydroxyethyl)cyclohexanol

Structural Information

Molecular Formula
C8H16O2
SMILES
CC(C1CCCCC1O)O
InChI
InChI=1S/C8H16O2/c1-6(9)7-4-2-3-5-8(7)10/h6-10H,2-5H2,1H3
InChIKey
MVYIQVQYQBTWRR-UHFFFAOYSA-N
Compound name
2-(1-hydroxyethyl)cyclohexan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

37
Patents

144.11504 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.12232 132.7
[M+Na]+ 167.10426 137.2
[M-H]- 143.10776 132.9
[M+NH4]+ 162.14886 152.7
[M+K]+ 183.07820 135.9
[M+H-H2O]+ 127.11230 128.0
[M+HCOO]- 189.11324 149.6
[M+CH3COO]- 203.12889 170.2
[M+Na-2H]- 165.08971 135.4
[M]+ 144.11449 126.7
[M]- 144.11559 126.7
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.