CID 3043820

Brn 1865854

Structural Information

Molecular Formula
C9H22NO2PS
SMILES
CC(C)COP(=O)(C)SCCN(C)C
InChI
InChI=1S/C9H22NO2PS/c1-9(2)8-12-13(5,11)14-7-6-10(3)4/h9H,6-8H2,1-5H3
InChIKey
OVBJVFPBWXJERA-UHFFFAOYSA-N
Compound name
N,N-dimethyl-2-[methyl(2-methylpropoxy)phosphoryl]sulfanylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

239.11089 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.11817 156.4
[M+Na]+ 262.10011 161.3
[M-H]- 238.10361 156.6
[M+NH4]+ 257.14471 175.6
[M+K]+ 278.07405 161.5
[M+H-H2O]+ 222.10815 148.1
[M+HCOO]- 284.10909 178.8
[M+CH3COO]- 298.12474 199.5
[M+Na-2H]- 260.08556 154.4
[M]+ 239.11034 163.7
[M]- 239.11144 163.7
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.