CID 91212825

Beta-gpcho

Structural Information

Molecular Formula

C₈H₂₁NO₆P

SMILES

C[N+](C)(C)CCOP(=O)(O)OC(CO)CO

InChI

InChI=1S/C8H20NO6P/c1-9(2,3)4-5-14-16(12,13)15-8(6-10)7-11/h8,10-11H,4-7H2,1-3H3/p+1

InChIKey

DQBGWLUPOYEQQT-UHFFFAOYSA-O

Compound name

2-[1,3-dihydroxypropan-2-yloxy(hydroxy)phosphoryl]oxyethyl-trimethylazanium

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 69
Patents: 258.11066 Da
Monoisotopic Mass: -2.3
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]+	259.11794	153.3
[M+Na]+	281.09988	159.7
[M+NH4]+	276.14448	157.6
[M+K]+	297.07382	160.2
[M-H]-	257.10338	149.6
[M+Na-2H]-	279.08533	153.4
[M]+	258.11011	152.9
[M]-	258.11121	152.9

Literature stripe

literature stripe

Patent stripe

patents stripe