CID 54311732

38843-86-6

Structural Information

Molecular Formula

C₉H₂₂NO₅P

SMILES

CC(CN(CC(C)O)CP(=O)(OC)OC)O

InChI

InChI=1S/C9H22NO5P/c1-8(11)5-10(6-9(2)12)7-16(13,14-3)15-4/h8-9,11-12H,5-7H2,1-4H3

InChIKey

SLJIKADEGHILDH-UHFFFAOYSA-N

Compound name

1-[dimethoxyphosphorylmethyl(2-hydroxypropyl)amino]propan-2-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 255.12357 Da
Monoisotopic Mass: -0.9
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]+	256.130846	161.7
[M+Na]+	278.112788	165.5
[M-H]-	254.116294	159.0
[M+NH4]+	273.157393	178.0
[M+K]+	294.086728	167.2
[M+H-H2O]+	238.120830	154.0
[M+HCOO]-	300.121771	185.9
[M+CH3COO]-	314.137421	197.6
[M+Na-2H]-	276.098236	160.7
[M]+	255.12302142	167.0
[M]-	255.12411858	167.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe