CID 89603

2-hydroxyethyl tetradecanoate

Structural Information

Molecular Formula
C16H32O3
SMILES
CCCCCCCCCCCCCC(=O)OCCO
InChI
InChI=1S/C16H32O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-16(18)19-15-14-17/h17H,2-15H2,1H3
InChIKey
ABFWOTZXBYVPIF-UHFFFAOYSA-N
Compound name
2-hydroxyethyl tetradecanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

489
Patents

272.23514 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.242416 173.4
[M+Na]+ 295.224358 176.1
[M-H]- 271.227864 170.4
[M+NH4]+ 290.268963 189.1
[M+K]+ 311.198298 173.6
[M+H-H2O]+ 255.232400 167.0
[M+HCOO]- 317.233341 192.3
[M+CH3COO]- 331.248991 199.8
[M+Na-2H]- 293.209806 173.3
[M]+ 272.23459142 179.5
[M]- 272.23568858 179.5
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