CID 50988469

1-[(3-aminophenyl)sulfanyl]-n,n-dimethylformamide hydrochloride

Structural Information

Molecular Formula
C9H12N2OS
SMILES
CN(C)C(=O)SC1=CC=CC(=C1)N
InChI
InChI=1S/C9H12N2OS/c1-11(2)9(12)13-8-5-3-4-7(10)6-8/h3-6H,10H2,1-2H3
InChIKey
RTDNJUHJRQCDCJ-UHFFFAOYSA-N
Compound name
S-(3-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]+ 197.07431 141.8
[M+Na]+ 219.05625 148.8
[M-H]- 195.05975 146.7
[M+NH4]+ 214.10085 161.7
[M+K]+ 235.03019 147.0
[M+H-H2O]+ 179.06429 135.2
[M+HCOO]- 241.06523 162.1
[M+CH3COO]- 255.08088 189.4
[M+Na-2H]- 217.04170 143.9
[M]+ 196.06648 142.9
[M]- 196.06758 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.