CID 3042819

2-hydroxyethylamino diethyl thionophosphate

Structural Information

Molecular Formula
C6H16NO3PS
SMILES
CCOP(=S)(NCCO)OCC
InChI
InChI=1S/C6H16NO3PS/c1-3-9-11(12,10-4-2)7-5-6-8/h8H,3-6H2,1-2H3,(H,7,12)
InChIKey
JOQVWRVIGZKDFQ-UHFFFAOYSA-N
Compound name
2-(diethoxyphosphinothioylamino)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

213.05885 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.06613 146.5
[M+Na]+ 236.04807 152.1
[M-H]- 212.05157 144.0
[M+NH4]+ 231.09267 165.2
[M+K]+ 252.02201 150.6
[M+H-H2O]+ 196.05611 138.7
[M+HCOO]- 258.05705 169.1
[M+CH3COO]- 272.07270 185.6
[M+Na-2H]- 234.03352 147.3
[M]+ 213.05830 151.4
[M]- 213.05940 151.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.