CID 90710

Brn 3064728

Structural Information

Molecular Formula
C11H27NO6P2S
SMILES
CC(C)OP(=O)(N(C)CCSP(=O)(OC)OC)OC(C)C
InChI
InChI=1S/C11H27NO6P2S/c1-10(2)17-19(13,18-11(3)4)12(5)8-9-21-20(14,15-6)16-7/h10-11H,8-9H2,1-7H3
InChIKey
IMSAFKDAGZMSMJ-UHFFFAOYSA-N
Compound name
2-dimethoxyphosphorylsulfanyl-N-di(propan-2-yloxy)phosphoryl-N-methylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

363.10342 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.11070 196.2
[M+Na]+ 386.09264 202.8
[M-H]- 362.09614 194.5
[M+NH4]+ 381.13724 205.5
[M+K]+ 402.06658 186.6
[M+H-H2O]+ 346.10068 170.2
[M+HCOO]- 408.10162 209.6
[M+CH3COO]- 422.11727 220.8
[M+Na-2H]- 384.07809 178.4
[M]+ 363.10287 196.9
[M]- 363.10397 196.9
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.