CID 167753

4-(ethylthio)phenyl n-methylcarbamate

Structural Information

Molecular Formula
C10H13NO2S
SMILES
CCSC1=CC=C(C=C1)OC(=O)NC
InChI
InChI=1S/C10H13NO2S/c1-3-14-9-6-4-8(5-7-9)13-10(12)11-2/h4-7H,3H2,1-2H3,(H,11,12)
InChIKey
OZJCQBUSEOVJOW-UHFFFAOYSA-N
Compound name
(4-ethylsulfanylphenyl) N-methylcarbamate
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

0
References

4622
Patents

211.0667 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.073976 145.0
[M+Na]+ 234.055918 152.2
[M-H]- 210.059424 148.9
[M+NH4]+ 229.100523 164.2
[M+K]+ 250.029858 149.7
[M+H-H2O]+ 194.063960 138.7
[M+HCOO]- 256.064901 164.5
[M+CH3COO]- 270.080551 186.7
[M+Na-2H]- 232.041366 147.9
[M]+ 211.06615142 148.4
[M]- 211.06724858 148.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe