CID 64676

Tetradecyl lactate

Structural Information

Molecular Formula
C17H34O3
SMILES
CCCCCCCCCCCCCCOC(=O)C(C)O
InChI
InChI=1S/C17H34O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-20-17(19)16(2)18/h16,18H,3-15H2,1-2H3
InChIKey
BORJONZPSTVSFP-UHFFFAOYSA-N
Compound name
tetradecyl 2-hydroxypropanoate
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

5
References

26806
Patents

286.2508 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.258076 178.6
[M+Na]+ 309.240018 180.7
[M-H]- 285.243524 175.6
[M+NH4]+ 304.284623 193.7
[M+K]+ 325.213958 178.4
[M+H-H2O]+ 269.248060 172.1
[M+HCOO]- 331.249001 196.2
[M+CH3COO]- 345.264651 203.5
[M+Na-2H]- 307.225466 176.7
[M]+ 286.25025142 184.4
[M]- 286.25134858 184.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe