CID 89129

21988-53-4

Structural Information

Molecular Formula
C10H25NO5P2S
SMILES
CC(C)OP(=O)(NCCSP(=O)(C)OC)OC(C)C
InChI
InChI=1S/C10H25NO5P2S/c1-9(2)15-18(13,16-10(3)4)11-7-8-19-17(6,12)14-5/h9-10H,7-8H2,1-6H3,(H,11,13)
InChIKey
OLLOFYSRHJNSFO-UHFFFAOYSA-N
Compound name
N-di(propan-2-yloxy)phosphoryl-2-[methoxy(methyl)phosphoryl]sulfanylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

333.09286 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.10014 176.4
[M+Na]+ 356.08208 179.8
[M-H]- 332.08558 173.8
[M+NH4]+ 351.12668 192.0
[M+K]+ 372.05602 180.3
[M+H-H2O]+ 316.09012 165.6
[M+HCOO]- 378.09106 201.7
[M+CH3COO]- 392.10671 212.6
[M+Na-2H]- 354.06753 173.8
[M]+ 333.09231 186.2
[M]- 333.09341 186.2
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.