CID 115547557

1549788-17-1

Structural Information

Molecular Formula
C8H10N2OS
SMILES
CSC1=CC=CC(=C1N)C(=O)N
InChI
InChI=1S/C8H10N2OS/c1-12-6-4-2-3-5(7(6)9)8(10)11/h2-4H,9H2,1H3,(H2,10,11)
InChIKey
CYDNVCKCORRSCS-UHFFFAOYSA-N
Compound name
2-amino-3-methylsulfanylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

182.05139 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.058666 136.7
[M+Na]+ 205.040608 144.6
[M-H]- 181.044114 139.9
[M+NH4]+ 200.085213 156.3
[M+K]+ 221.014548 141.2
[M+H-H2O]+ 165.048650 130.6
[M+HCOO]- 227.049591 156.1
[M+CH3COO]- 241.065241 184.9
[M+Na-2H]- 203.026056 138.2
[M]+ 182.05084142 135.6
[M]- 182.05193858 135.6
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.