CID 89135

21988-60-3

Structural Information

Molecular Formula
C10H25NO6P2S
SMILES
CCCOP(=O)(OC)SCCNP(=O)(OCC)OCC
InChI
InChI=1S/C10H25NO6P2S/c1-5-9-17-19(13,14-4)20-10-8-11-18(12,15-6-2)16-7-3/h5-10H2,1-4H3,(H,11,12)
InChIKey
JNJGYXCMUVQJCS-UHFFFAOYSA-N
Compound name
N-diethoxyphosphoryl-2-[methoxy(propoxy)phosphoryl]sulfanylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

349.08777 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.09505 177.9
[M+Na]+ 372.07699 181.4
[M+NH4]+ 367.12159 201.2
[M+K]+ 388.05093 177.8
[M-H]- 348.08049 172.8
[M+Na-2H]- 370.06244 176.1
[M]+ 349.08722 176.7
[M]- 349.08832 176.7
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.