CID 40268

Brn 2286393

Structural Information

Molecular Formula
C12H14N2O2S
SMILES
CC(CC#N)SC1=CC=CC=C1OC(=O)NC
InChI
InChI=1S/C12H14N2O2S/c1-9(7-8-13)17-11-6-4-3-5-10(11)16-12(15)14-2/h3-6,9H,7H2,1-2H3,(H,14,15)
InChIKey
ZNSBJLNCKAUMAU-UHFFFAOYSA-N
Compound name
[2-(1-cyanopropan-2-ylsulfanyl)phenyl] N-methylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

250.0776 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.08488 152.9
[M+Na]+ 273.06682 162.4
[M+NH4]+ 268.11142 156.9
[M+K]+ 289.04076 152.5
[M-H]- 249.07032 147.4
[M+Na-2H]- 271.05227 155.4
[M]+ 250.07705 152.1
[M]- 250.07815 152.1
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.