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
1
Annotation Hits

0
References

572
Patents

272.23514 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.24242 173.4
[M+Na]+ 295.22436 176.1
[M-H]- 271.22786 170.4
[M+NH4]+ 290.26896 189.1
[M+K]+ 311.19830 173.6
[M+H-H2O]+ 255.23240 167.0
[M+HCOO]- 317.23334 192.3
[M+CH3COO]- 331.24899 199.8
[M+Na-2H]- 293.20981 173.3
[M]+ 272.23459 179.5
[M]- 272.23569 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