CID 98753251

2248408-63-9

Structural Information

Molecular Formula

SMILES

CC1=CSC(=C1Br)N

InChI

InChI=1S/C5H6BrNS/c1-3-2-8-5(7)4(3)6/h2H,7H2,1H3

InChIKey

LHHPNJOYKOEVDM-UHFFFAOYSA-N

Compound name

3-bromo-4-methylthiophen-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 190.94043 Da
Monoisotopic Mass: 2.3
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]+	191.94771	125.0
[M+Na]+	213.92965	127.1
[M+NH4]+	208.97425	131.2
[M+K]+	229.90359	127.5
[M-H]-	189.93315	126.3
[M+Na-2H]-	211.91510	127.9
[M]+	190.93988	124.8
[M]-	190.94098	124.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.