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

5
Annotation Hits: 0
References: 6
Patents: 211.0667 Da
Monoisotopic Mass: 2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	212.073976	144.5
[M+Na]+	234.055918	152.5
[M-H]-	210.059424	148.7
[M+NH4]+	229.100523	164.0
[M+K]+	250.029858	150.1
[M+H-H2O]+	194.063960	138.4
[M+HCOO]-	256.064901	163.9
[M+CH3COO]-	270.080551	187.9
[M+Na-2H]-	232.041366	146.8
[M]+	211.06615142	148.3
[M]-	211.06724858	148.3

Literature stripe

literature stripe

Patent stripe

patents stripe