CID 216826

Brn 1797348

Structural Information

Molecular Formula
C10H22NO3PS2
SMILES
CCCCNC(=O)CSP(=S)(OCC)OCC
InChI
InChI=1S/C10H22NO3PS2/c1-4-7-8-11-10(12)9-17-15(16,13-5-2)14-6-3/h4-9H2,1-3H3,(H,11,12)
InChIKey
SJYLTZVVKQDKJP-UHFFFAOYSA-N
Compound name
N-butyl-2-diethoxyphosphinothioylsulfanylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

299.07788 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.08516 165.4
[M+Na]+ 322.06710 169.2
[M-H]- 298.07060 163.3
[M+NH4]+ 317.11170 181.2
[M+K]+ 338.04104 165.8
[M+H-H2O]+ 282.07514 156.1
[M+HCOO]- 344.07608 181.7
[M+CH3COO]- 358.09173 203.8
[M+Na-2H]- 320.05255 162.3
[M]+ 299.07733 172.4
[M]- 299.07843 172.4
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.