CID 118224

Octadecyl lactate

Structural Information

Molecular Formula

C₂₁H₄₂O₃

SMILES

CCCCCCCCCCCCCCCCCCOC(=O)C(C)O

InChI

InChI=1S/C21H42O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24-21(23)20(2)22/h20,22H,3-19H2,1-2H3

InChIKey

UKGRTCZMPQERFQ-UHFFFAOYSA-N

Compound name

octadecyl 2-hydroxypropanoate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 2148
Patents: 342.3134 Da
Monoisotopic Mass: 8.7
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]+	343.320676	196.6
[M+Na]+	365.302618	197.0
[M-H]-	341.306124	192.7
[M+NH4]+	360.347223	209.4
[M+K]+	381.276558	193.7
[M+H-H2O]+	325.310660	189.3
[M+HCOO]-	387.311601	212.8
[M+CH3COO]-	401.327251	215.3
[M+Na-2H]-	363.288066	192.6
[M]+	342.31285142	203.9
[M]-	342.31394858	203.9

Literature stripe

literature stripe

Patent stripe

patents stripe