CID 89138

21988-66-9

Structural Information

Molecular Formula
C12H29NO6P2S
SMILES
CC(C)OP(=O)(CCNCCSP(=O)(OC)OC)OC(C)C
InChI
InChI=1S/C12H29NO6P2S/c1-11(2)18-20(14,19-12(3)4)9-7-13-8-10-22-21(15,16-5)17-6/h11-13H,7-10H2,1-6H3
InChIKey
OAGDLJXFQAALNK-UHFFFAOYSA-N
Compound name
N-(2-dimethoxyphosphorylsulfanylethyl)-2-di(propan-2-yloxy)phosphorylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

377.11908 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.12636 198.5
[M+Na]+ 400.10830 203.3
[M-H]- 376.11180 194.3
[M+NH4]+ 395.15290 203.9
[M+K]+ 416.08224 196.3
[M+H-H2O]+ 360.11634 176.2
[M+HCOO]- 422.11728 212.1
[M+CH3COO]- 436.13293 220.5
[M+Na-2H]- 398.09375 184.7
[M]+ 377.11853 197.5
[M]- 377.11963 197.5
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.