CID 549157

2-[1-(hydroxymethyl)cyclohexyl]ethan-1-ol

Structural Information

Molecular Formula
C9H18O2
SMILES
C1CCC(CC1)(CCO)CO
InChI
InChI=1S/C9H18O2/c10-7-6-9(8-11)4-2-1-3-5-9/h10-11H,1-8H2
InChIKey
INUWAALKYXUUGF-UHFFFAOYSA-N
Compound name
2-[1-(hydroxymethyl)cyclohexyl]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

35
Patents

158.13068 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.137956 137.5
[M+Na]+ 181.119898 141.8
[M-H]- 157.123404 137.5
[M+NH4]+ 176.164503 158.8
[M+K]+ 197.093838 140.0
[M+H-H2O]+ 141.127940 133.1
[M+HCOO]- 203.128881 155.1
[M+CH3COO]- 217.144531 170.7
[M+Na-2H]- 179.105346 142.8
[M]+ 158.13013142 132.6
[M]- 158.13122858 132.6
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