CID 215549

Brn 2276278

Structural Information

Molecular Formula
C10H22NO4PS
SMILES
CCCCNC(=O)CSP(=O)(OCC)OCC
InChI
InChI=1S/C10H22NO4PS/c1-4-7-8-11-10(12)9-17-16(13,14-5-2)15-6-3/h4-9H2,1-3H3,(H,11,12)
InChIKey
JHKLRKZZJVNOIS-UHFFFAOYSA-N
Compound name
N-butyl-2-diethoxyphosphorylsulfanylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

283.1007 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.10798 165.7
[M+Na]+ 306.08992 170.0
[M-H]- 282.09342 164.1
[M+NH4]+ 301.13452 182.2
[M+K]+ 322.06386 168.9
[M+H-H2O]+ 266.09796 157.0
[M+HCOO]- 328.09890 188.0
[M+CH3COO]- 342.11455 201.4
[M+Na-2H]- 304.07537 164.5
[M]+ 283.10015 174.1
[M]- 283.10125 174.1
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.