CID 27669

16066-90-3

Structural Information

Molecular Formula
C9H11NOS
SMILES
CC1=CC=C(C=C1)SC(=O)NC
InChI
InChI=1S/C9H11NOS/c1-7-3-5-8(6-4-7)12-9(11)10-2/h3-6H,1-2H3,(H,10,11)
InChIKey
QGAUXQOYLNHWDG-UHFFFAOYSA-N
Compound name
S-(4-methylphenyl) N-methylcarbamothioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

181.05614 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.063416 137.0
[M+Na]+ 204.045358 144.8
[M-H]- 180.048864 141.1
[M+NH4]+ 199.089963 157.6
[M+K]+ 220.019298 142.1
[M+H-H2O]+ 164.053400 131.1
[M+HCOO]- 226.054341 156.6
[M+CH3COO]- 240.069991 181.7
[M+Na-2H]- 202.030806 140.4
[M]+ 181.05559142 138.6
[M]- 181.05668858 138.6
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

No patent data available for this compound.