CID 158821

Phosphoramidodithioic acid, formylmethyl-, o-ethyl s-(1-methylpropyl)ester

Structural Information

Molecular Formula
C8H18NO2PS2
SMILES
CCC(C)SP(=S)(N(C)C=O)OCC
InChI
InChI=1S/C8H18NO2PS2/c1-5-8(3)14-12(13,11-6-2)9(4)7-10/h7-8H,5-6H2,1-4H3
InChIKey
VYKAKQBBZPGADZ-UHFFFAOYSA-N
Compound name
N-[butan-2-ylsulfanyl(ethoxy)phosphinothioyl]-N-methylformamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

255.05165 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.05893 153.1
[M+Na]+ 278.04087 158.1
[M-H]- 254.04437 153.0
[M+NH4]+ 273.08547 171.4
[M+K]+ 294.01481 156.2
[M+H-H2O]+ 238.04891 144.3
[M+HCOO]- 300.04985 170.2
[M+CH3COO]- 314.06550 200.0
[M+Na-2H]- 276.02632 150.0
[M]+ 255.05110 159.5
[M]- 255.05220 159.5
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.