CID 231081

3-(cyclohexyloxy)propane-1,2-diol

Structural Information

Molecular Formula
C9H18O3
SMILES
C1CCC(CC1)OCC(CO)O
InChI
InChI=1S/C9H18O3/c10-6-8(11)7-12-9-4-2-1-3-5-9/h8-11H,1-7H2
InChIKey
OWTXHZITCDRRTI-UHFFFAOYSA-N
Compound name
3-cyclohexyloxypropane-1,2-diol
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

475
Patents

174.1256 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.132876 140.6
[M+Na]+ 197.114818 143.6
[M-H]- 173.118324 140.2
[M+NH4]+ 192.159423 159.0
[M+K]+ 213.088758 142.6
[M+H-H2O]+ 157.122860 135.1
[M+HCOO]- 219.123801 157.4
[M+CH3COO]- 233.139451 174.1
[M+Na-2H]- 195.100266 143.5
[M]+ 174.12505142 136.1
[M]- 174.12614858 136.1
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