CID 17786765

Lpa 19:0

Structural Information

Molecular Formula

C₂₂H₄₅O₇P

SMILES

CCCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)O)O

InChI

InChI=1S/C22H45O7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22(24)28-19-21(23)20-29-30(25,26)27/h21,23H,2-20H2,1H3,(H2,25,26,27)

InChIKey

YAERNOYIELLICR-UHFFFAOYSA-N

Compound name

(2-hydroxy-3-phosphonooxypropyl) nonadecanoate

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 1
References: 14
Patents: 452.29028 Da
Monoisotopic Mass: 6.7
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]+	453.29756	213.0
[M+Na]+	475.27950	214.9
[M-H]-	451.28300	204.4
[M+NH4]+	470.32410	212.3
[M+K]+	491.25344	211.0
[M+H-H2O]+	435.28754	203.3
[M+HCOO]-	497.28848	220.2
[M+CH3COO]-	511.30413	227.8
[M+Na-2H]-	473.26495	197.3
[M]+	452.28973	209.6
[M]-	452.29083	209.6

Literature stripe

literature stripe

Patent stripe

patents stripe