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
3
Annotation Hits

0
References

3134
Patents

272.27155 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.27883 175.5
[M+Na]+ 295.26077 177.7
[M-H]- 271.26427 172.2
[M+NH4]+ 290.30537 191.4
[M+K]+ 311.23471 174.6
[M+H-H2O]+ 255.26881 168.9
[M+HCOO]- 317.26975 194.6
[M+CH3COO]- 331.28540 201.6
[M+Na-2H]- 293.24622 176.2
[M]+ 272.27100 182.0
[M]- 272.27210 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

patents stripe