CID 51760

73207-98-4

Structural Information

Molecular Formula

C₉H₂₂NO₂PS

SMILES

CC(C)N(CCSP(=O)(C)O)C(C)C

InChI

InChI=1S/C9H22NO2PS/c1-8(2)10(9(3)4)6-7-14-13(5,11)12/h8-9H,6-7H2,1-5H3,(H,11,12)

InChIKey

UOXJNGFFPMOZDM-UHFFFAOYSA-N

Compound name

2-[di(propan-2-yl)amino]ethylsulfanyl-methylphosphinic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 5768
Patents: 239.11089 Da
Monoisotopic Mass: -1.3
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]+	240.118166	156.9
[M+Na]+	262.100108	161.1
[M-H]-	238.103614	155.7
[M+NH4]+	257.144713	175.3
[M+K]+	278.074048	160.8
[M+H-H2O]+	222.108150	148.9
[M+HCOO]-	284.109091	176.7
[M+CH3COO]-	298.124741	197.7
[M+Na-2H]-	260.085556	153.3
[M]+	239.11034142	161.6
[M]-	239.11143858	161.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe