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]+ 182.06342 137.0
[M+Na]+ 204.04536 144.8
[M-H]- 180.04886 141.1
[M+NH4]+ 199.08996 157.6
[M+K]+ 220.01930 142.1
[M+H-H2O]+ 164.05340 131.1
[M+HCOO]- 226.05434 156.6
[M+CH3COO]- 240.06999 181.7
[M+Na-2H]- 202.03081 140.4
[M]+ 181.05559 138.6
[M]- 181.05669 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.