CID 89131

21988-55-6

Structural Information

Molecular Formula
C9H23NO6P2S
SMILES
CCOP(=O)(NCCSP(=O)(OC)OCC)OCC
InChI
InChI=1S/C9H23NO6P2S/c1-5-14-17(11,15-6-2)10-8-9-19-18(12,13-4)16-7-3/h5-9H2,1-4H3,(H,10,11)
InChIKey
MOUBNLCEQKFOLO-UHFFFAOYSA-N
Compound name
N-diethoxyphosphoryl-2-[ethoxy(methoxy)phosphoryl]sulfanylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

335.07214 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.07942 174.1
[M+Na]+ 358.06136 178.1
[M-H]- 334.06486 171.4
[M+NH4]+ 353.10596 190.1
[M+K]+ 374.03530 178.3
[M+H-H2O]+ 318.06940 162.9
[M+HCOO]- 380.07034 207.1
[M+CH3COO]- 394.08599 210.2
[M+Na-2H]- 356.04681 174.4
[M]+ 335.07159 186.0
[M]- 335.07269 186.0
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.