CID 3051041

67242-38-0

Structural Information

Molecular Formula

C₅H₁₄NOPS

SMILES

CCCCP(=O)(N)SC

InChI

InChI=1S/C5H14NOPS/c1-3-4-5-8(6,7)9-2/h3-5H2,1-2H3,(H2,6,7)

InChIKey

OJZUSUPLJLEGHP-UHFFFAOYSA-N

Compound name

1-[amino(methylsulfanyl)phosphoryl]butane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 167.05338 Da
Monoisotopic Mass: 0.3
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]+	168.06066	136.0
[M+Na]+	190.04260	142.9
[M-H]-	166.04610	134.9
[M+NH4]+	185.08720	157.3
[M+K]+	206.01654	141.3
[M+H-H2O]+	150.05064	128.8
[M+HCOO]-	212.05158	159.3
[M+CH3COO]-	226.06723	180.5
[M+Na-2H]-	188.02805	136.3
[M]+	167.05283	138.7
[M]-	167.05393	138.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.