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

2
Annotation Hits: 5
References: 24937
Patents: 286.2508 Da
Monoisotopic Mass: 6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	287.25808	175.8
[M+Na]+	309.24002	182.5
[M+NH4]+	304.28462	180.7
[M+K]+	325.21396	176.4
[M-H]-	285.24352	173.2
[M+Na-2H]-	307.22547	175.2
[M]+	286.25025	175.6
[M]-	286.25135	175.6

Literature stripe

literature stripe

Patent stripe

patents stripe