CID 90124

Brn 1888174

Structural Information

Molecular Formula
C10H25NO6P2S
SMILES
CC(C)OP(=O)(NCCSP(=O)(OC)OC)OC(C)C
InChI
InChI=1S/C10H25NO6P2S/c1-9(2)16-18(12,17-10(3)4)11-7-8-20-19(13,14-5)15-6/h9-10H,7-8H2,1-6H3,(H,11,12)
InChIKey
GJCLJHPKEFJKEB-UHFFFAOYSA-N
Compound name
2-dimethoxyphosphorylsulfanyl-N-di(propan-2-yloxy)phosphorylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

349.08777 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.09505 178.3
[M+Na]+ 372.07699 181.3
[M-H]- 348.08049 187.4
[M+NH4]+ 367.12159 196.2
[M+K]+ 388.05093 182.5
[M+H-H2O]+ 332.08503 167.3
[M+HCOO]- 394.08597 205.2
[M+CH3COO]- 408.10162 214.6
[M+Na-2H]- 370.06244 176.2
[M]+ 349.08722 190.0
[M]- 349.08832 190.0
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.