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
3
Annotation Hits

0
References

487
Patents

174.1256 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.13288 140.6
[M+Na]+ 197.11482 143.6
[M-H]- 173.11832 140.2
[M+NH4]+ 192.15942 159.0
[M+K]+ 213.08876 142.6
[M+H-H2O]+ 157.12286 135.1
[M+HCOO]- 219.12380 157.4
[M+CH3COO]- 233.13945 174.1
[M+Na-2H]- 195.10027 143.5
[M]+ 174.12505 136.1
[M]- 174.12615 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