CID 3034297

Stauffer b-10288

Structural Information

Molecular Formula
C6H15N2O3PS2
SMILES
CN(CCO)C(=S)NP(=S)(OC)OC
InChI
InChI=1S/C6H15N2O3PS2/c1-8(4-5-9)6(13)7-12(14,10-2)11-3/h9H,4-5H2,1-3H3,(H,7,13,14)
InChIKey
HUSWYLCFUROMJM-UHFFFAOYSA-N
Compound name
3-dimethoxyphosphinothioyl-1-(2-hydroxyethyl)-1-methylthiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

258.02618 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.03346 151.4
[M+Na]+ 281.01540 155.6
[M-H]- 257.01890 149.8
[M+NH4]+ 276.06000 168.3
[M+K]+ 296.98934 153.5
[M+H-H2O]+ 241.02344 142.4
[M+HCOO]- 303.02438 168.6
[M+CH3COO]- 317.04003 197.1
[M+Na-2H]- 279.00085 149.7
[M]+ 258.02563 155.2
[M]- 258.02673 155.2
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.