CID 19106

3-methyl-4-(methylthio)phenyl methylcarbamate

Structural Information

Molecular Formula
C10H13NO2S
SMILES
CC1=C(C=CC(=C1)OC(=O)NC)SC
InChI
InChI=1S/C10H13NO2S/c1-7-6-8(13-10(12)11-2)4-5-9(7)14-3/h4-6H,1-3H3,(H,11,12)
InChIKey
SLZKSCPVPMUGAP-UHFFFAOYSA-N
Compound name
(3-methyl-4-methylsulfanylphenyl) N-methylcarbamate
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

4
Patents

211.0667 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.07398 145.9
[M+Na]+ 234.05592 157.3
[M+NH4]+ 229.10052 154.2
[M+K]+ 250.02986 149.4
[M-H]- 210.05942 148.3
[M+Na-2H]- 232.04137 151.4
[M]+ 211.06615 148.6
[M]- 211.06725 148.6
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

patents stripe