CID 89142

21998-73-2

Structural Information

Molecular Formula
C11H27NO5P2S2
SMILES
CC(C)OP(=O)(N(C)CCSP(=S)(OC)OC)OC(C)C
InChI
InChI=1S/C11H27NO5P2S2/c1-10(2)16-18(13,17-11(3)4)12(5)8-9-21-19(20,14-6)15-7/h10-11H,8-9H2,1-7H3
InChIKey
XORKDXPRPPOFPV-UHFFFAOYSA-N
Compound name
2-dimethoxyphosphinothioylsulfanyl-N-di(propan-2-yloxy)phosphoryl-N-methylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

379.0806 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 380.08788 180.0
[M+Na]+ 402.06982 182.1
[M-H]- 378.07332 178.1
[M+NH4]+ 397.11442 208.5
[M+K]+ 418.04376 182.2
[M+H-H2O]+ 362.07786 168.0
[M+HCOO]- 424.07880 212.9
[M+CH3COO]- 438.09445 222.7
[M+Na-2H]- 400.05527 175.9
[M]+ 379.08005 191.2
[M]- 379.08115 191.2
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.