CID 439285

4217-84-9

Structural Information

Molecular Formula

C₈H₂₁NO₆P

SMILES

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

InChI

InChI=1S/C8H20NO6P/c1-9(2,3)4-5-14-16(12,13)15-7-8(11)6-10/h8,10-11H,4-7H2,1-3H3/p+1/t8-/m1/s1

InChIKey

SUHOQUVVVLNYQR-MRVPVSSYSA-O

Compound name

2-[[(2R)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium

Related CIDs

2D Structure

compound 2d structure

8
Annotation Hits: 1313
References: 10980
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