CID 3057445

Nicotinamide, 4-(ethylthio)-, hydrobromide

Structural Information

Molecular Formula

C₈H₁₀N₂OS

SMILES

CCSC1=C(C=NC=C1)C(=O)N

InChI

InChI=1S/C8H10N2OS/c1-2-12-7-3-4-10-5-6(7)8(9)11/h3-5H,2H2,1H3,(H2,9,11)

InChIKey

BNWZBTIJWLQLPE-UHFFFAOYSA-N

Compound name

4-ethylsulfanylpyridine-3-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 11
Patents: 182.05139 Da
Monoisotopic Mass: 0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	183.05867	137.5
[M+Na]+	205.04061	148.8
[M+NH4]+	200.08521	145.7
[M+K]+	221.01455	141.3
[M-H]-	181.04411	139.4
[M+Na-2H]-	203.02606	143.2
[M]+	182.05084	139.9
[M]-	182.05194	139.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe