CID 102300

Diisopropoxy-(2-dimethylaminoethylthio)phosphine oxide oxalate

Structural Information

Molecular Formula
C10H24NO3PS
SMILES
CC(C)OP(=O)(OC(C)C)SCCN(C)C
InChI
InChI=1S/C10H24NO3PS/c1-9(2)13-15(12,14-10(3)4)16-8-7-11(5)6/h9-10H,7-8H2,1-6H3
InChIKey
JAFJBSJQOPRFHM-UHFFFAOYSA-N
Compound name
2-di(propan-2-yloxy)phosphorylsulfanyl-N,N-dimethylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

269.12146 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.12874 163.7
[M+Na]+ 292.11068 167.8
[M-H]- 268.11418 163.8
[M+NH4]+ 287.15528 181.5
[M+K]+ 308.08462 168.7
[M+H-H2O]+ 252.11872 155.1
[M+HCOO]- 314.11966 185.0
[M+CH3COO]- 328.13531 205.3
[M+Na-2H]- 290.09613 160.5
[M]+ 269.12091 172.2
[M]- 269.12201 172.2
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.