CID 275048

1-(2-hydroxyethyl)cyclohexan-1-ol

Structural Information

Molecular Formula
C8H16O2
SMILES
C1CCC(CC1)(CCO)O
InChI
InChI=1S/C8H16O2/c9-7-6-8(10)4-2-1-3-5-8/h9-10H,1-7H2
InChIKey
YHSJEDVJYGRFHX-UHFFFAOYSA-N
Compound name
1-(2-hydroxyethyl)cyclohexan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

207
Patents

144.11504 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.12232 133.1
[M+Na]+ 167.10426 137.8
[M-H]- 143.10776 133.2
[M+NH4]+ 162.14886 154.9
[M+K]+ 183.07820 136.2
[M+H-H2O]+ 127.11230 128.8
[M+HCOO]- 189.11324 151.0
[M+CH3COO]- 203.12889 167.7
[M+Na-2H]- 165.08971 138.9
[M]+ 144.11449 127.7
[M]- 144.11559 127.7
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.