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]+ 159.13796 137.5
[M+Na]+ 181.11990 141.8
[M-H]- 157.12340 137.5
[M+NH4]+ 176.16450 158.8
[M+K]+ 197.09384 140.0
[M+H-H2O]+ 141.12794 133.1
[M+HCOO]- 203.12888 155.1
[M+CH3COO]- 217.14453 170.7
[M+Na-2H]- 179.10535 142.8
[M]+ 158.13013 132.6
[M]- 158.13123 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