CID 11084780

1-[(2-aminophenyl)sulfanyl]-n,n-dimethylformamide hydrochloride

Structural Information

Molecular Formula
C9H12N2OS
SMILES
CN(C)C(=O)SC1=CC=CC=C1N
InChI
InChI=1S/C9H12N2OS/c1-11(2)9(12)13-8-6-4-3-5-7(8)10/h3-6H,10H2,1-2H3
InChIKey
RODWWMKTZUHSQP-UHFFFAOYSA-N
Compound name
S-(2-aminophenyl) N,N-dimethylcarbamothioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

196.06703 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.074306 141.8
[M+Na]+ 219.056248 148.8
[M-H]- 195.059754 146.7
[M+NH4]+ 214.100853 161.7
[M+K]+ 235.030188 147.0
[M+H-H2O]+ 179.064290 135.2
[M+HCOO]- 241.065231 162.1
[M+CH3COO]- 255.080881 189.4
[M+Na-2H]- 217.041696 143.9
[M]+ 196.06648142 142.9
[M]- 196.06757858 142.9
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.