CID 243663

1-(3-hydroxypropyl)cyclohexanol

Structural Information

Molecular Formula
C9H18O2
SMILES
C1CCC(CC1)(CCCO)O
InChI
InChI=1S/C9H18O2/c10-8-4-7-9(11)5-2-1-3-6-9/h10-11H,1-8H2
InChIKey
KCENFBLAEKHLPA-UHFFFAOYSA-N
Compound name
1-(3-hydroxypropyl)cyclohexan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1222
Patents

158.13068 Da
Monoisotopic Mass

1.2
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

literature stripe

Patent stripe

patents stripe