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

174
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

literature stripe

Patent stripe

patents stripe