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

29
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

literature stripe

Patent stripe

patents stripe