CID 115547557

2-amino-3-(methylsulfanyl)benzamide

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]+ 183.05867 137.3
[M+Na]+ 205.04061 147.5
[M+NH4]+ 200.08521 145.6
[M+K]+ 221.01455 140.6
[M-H]- 181.04411 140.1
[M+Na-2H]- 203.02606 142.5
[M]+ 182.05084 139.8
[M]- 182.05194 139.8
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.