CID 13685443

1-propanol, 2-(tetradecyloxy)-

Structural Information

Molecular Formula
C17H36O2
SMILES
CCCCCCCCCCCCCCOC(C)CO
InChI
InChI=1S/C17H36O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-19-17(2)16-18/h17-18H,3-16H2,1-2H3
InChIKey
OZTHFQSNGNJBBB-UHFFFAOYSA-N
Compound name
2-tetradecoxypropan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

272.27155 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.27883 176.6
[M+Na]+ 295.26077 178.5
[M-H]- 271.26427 173.4
[M+NH4]+ 290.30537 192.4
[M+K]+ 311.23471 175.9
[M+H-H2O]+ 255.26881 170.1
[M+HCOO]- 317.26975 194.7
[M+CH3COO]- 331.28540 202.4
[M+Na-2H]- 293.24622 175.9
[M]+ 272.27100 182.4
[M]- 272.27210 182.4
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