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 170.4
[M+Na]+ 340.07427 175.6
[M-H]- 316.07777 174.2
[M+NH4]+ 335.11887 186.3
[M+K]+ 356.04821 175.5
[M+H-H2O]+ 300.08231 161.0
[M+HCOO]- 362.08325 193.0
[M+CH3COO]- 376.09890 210.5
[M+Na-2H]- 338.05972 168.3
[M]+ 317.08450 178.3
[M]- 317.08560 178.3
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.