CID 34330

28782-60-7

Structural Information

Molecular Formula
C13H20NO4PS
SMILES
CC(C)C1=CC(=CC=C1)OC(=O)N(C)P(=S)(OC)OC
InChI
InChI=1S/C13H20NO4PS/c1-10(2)11-7-6-8-12(9-11)18-13(15)14(3)19(20,16-4)17-5/h6-10H,1-5H3
InChIKey
MUTRRMRWHJYMNE-UHFFFAOYSA-N
Compound name
(3-propan-2-ylphenyl) N-dimethoxyphosphinothioyl-N-methylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

317.08505 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.09233 170.7
[M+Na]+ 340.07427 178.7
[M+NH4]+ 335.11887 176.4
[M+K]+ 356.04821 173.9
[M-H]- 316.07777 170.6
[M+Na-2H]- 338.05972 173.9
[M]+ 317.08450 172.0
[M]- 317.08560 172.0
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.