CID 218930

Brn 2738554

Structural Information

Molecular Formula
C13H22NO2PS
SMILES
CCOP(=O)(C)SCCN(C)C1=CC=CC(=C1)C
InChI
InChI=1S/C13H22NO2PS/c1-5-16-17(4,15)18-10-9-14(3)13-8-6-7-12(2)11-13/h6-8,11H,5,9-10H2,1-4H3
InChIKey
GXEGHECVIQDKOK-UHFFFAOYSA-N
Compound name
N-[2-[ethoxy(methyl)phosphoryl]sulfanylethyl]-N,3-dimethylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

287.1109 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.11818 166.1
[M+Na]+ 310.10012 175.8
[M+NH4]+ 305.14472 173.4
[M+K]+ 326.07406 168.2
[M-H]- 286.10362 167.7
[M+Na-2H]- 308.08557 170.8
[M]+ 287.11035 168.3
[M]- 287.11145 168.3
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.