CID 30800

21770-86-5

Structural Information

Molecular Formula
C9H22NO2PS
SMILES
CCN(CC)CCSP(=O)(C)OCC
InChI
InChI=1S/C9H22NO2PS/c1-5-10(6-2)8-9-14-13(4,11)12-7-3/h5-9H2,1-4H3
InChIKey
BKWMHKJLXIRTAI-UHFFFAOYSA-N
Compound name
2-[ethoxy(methyl)phosphoryl]sulfanyl-N,N-diethylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

121
Patents

239.11089 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.11817 156.4
[M+Na]+ 262.10011 161.6
[M-H]- 238.10361 156.6
[M+NH4]+ 257.14471 175.7
[M+K]+ 278.07405 161.3
[M+H-H2O]+ 222.10815 148.0
[M+HCOO]- 284.10909 179.8
[M+CH3COO]- 298.12474 198.8
[M+Na-2H]- 260.08556 155.5
[M]+ 239.11034 164.4
[M]- 239.11144 164.4
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.