CID 114239

3-(tetradecyloxy)propan-1-ol

Structural Information

Molecular Formula
C17H36O2
SMILES
CCCCCCCCCCCCCCOCCCO
InChI
InChI=1S/C17H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-19-17-14-15-18/h18H,2-17H2,1H3
InChIKey
XXBAQTDVRLRXEV-UHFFFAOYSA-N
Compound name
3-tetradecoxypropan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4354
Patents

272.27155 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.278826 175.5
[M+Na]+ 295.260768 177.7
[M-H]- 271.264274 172.2
[M+NH4]+ 290.305373 191.4
[M+K]+ 311.234708 174.6
[M+H-H2O]+ 255.268810 168.9
[M+HCOO]- 317.269751 194.6
[M+CH3COO]- 331.285401 201.6
[M+Na-2H]- 293.246216 176.2
[M]+ 272.27100142 182.0
[M]- 272.27209858 182.0
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

No patent data available for this compound.