CID 163471

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

Structural Information

Molecular Formula
C9H20NO2PS2
SMILES
CCC(C)SP(=S)(N(CC)C=O)OCC
InChI
InChI=1S/C9H20NO2PS2/c1-5-9(4)15-13(14,12-7-3)10(6-2)8-11/h8-9H,5-7H2,1-4H3
InChIKey
OBZUTJUCLUGNMG-UHFFFAOYSA-N
Compound name
N-[butan-2-ylsulfanyl(ethoxy)phosphinothioyl]-N-ethylformamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

269.06732 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.07460 157.5
[M+Na]+ 292.05654 162.1
[M-H]- 268.06004 157.3
[M+NH4]+ 287.10114 175.2
[M+K]+ 308.03048 160.0
[M+H-H2O]+ 252.06458 148.5
[M+HCOO]- 314.06552 174.3
[M+CH3COO]- 328.08117 202.9
[M+Na-2H]- 290.04199 154.0
[M]+ 269.06677 164.2
[M]- 269.06787 164.2
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

patents stripe