CID 29997

Brn 3960359

Structural Information

Molecular Formula
C12H29NO3PS
SMILES
CC[N+](CC)(CC)CCSP(=O)(OCC)OCC
InChI
InChI=1S/C12H29NO3PS/c1-6-13(7-2,8-3)11-12-18-17(14,15-9-4)16-10-5/h6-12H2,1-5H3/q+1
InChIKey
ZAFXFVAEZQMEFF-UHFFFAOYSA-N
Compound name
2-diethoxyphosphorylsulfanylethyl(triethyl)azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

298.16058 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.16786 167.5
[M+Na]+ 321.14980 175.9
[M+NH4]+ 316.19440 174.4
[M+K]+ 337.12374 170.1
[M-H]- 297.15330 167.2
[M+Na-2H]- 319.13525 169.5
[M]+ 298.16003 169.2
[M]- 298.16113 169.2
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.