CID 102302

20820-80-8

Structural Information

Molecular Formula
C7H18NO2PS
SMILES
CCOP(=O)(C)SCCN(C)C
InChI
InChI=1S/C7H18NO2PS/c1-5-10-11(4,9)12-7-6-8(2)3/h5-7H2,1-4H3
InChIKey
PKDYQTANBZBIRM-UHFFFAOYSA-N
Compound name
2-[ethoxy(methyl)phosphoryl]sulfanyl-N,N-dimethylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

67
Patents

211.07959 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.08687 147.1
[M+Na]+ 234.06881 153.2
[M-H]- 210.07231 147.7
[M+NH4]+ 229.11341 167.5
[M+K]+ 250.04275 153.4
[M+H-H2O]+ 194.07685 139.1
[M+HCOO]- 256.07779 171.2
[M+CH3COO]- 270.09344 192.7
[M+Na-2H]- 232.05426 147.2
[M]+ 211.07904 154.3
[M]- 211.08014 154.3
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.