CID 24229571

N-methyl-(2-bromothien-3-yl)methylamine

Structural Information

Molecular Formula

SMILES

CNCC1=C(SC=C1)Br

InChI

InChI=1S/C6H8BrNS/c1-8-4-5-2-3-9-6(5)7/h2-3,8H,4H2,1H3

InChIKey

FOIBDCULRFTGJL-UHFFFAOYSA-N

Compound name

1-(2-bromothiophen-3-yl)-N-methylmethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 204.95609 Da
Monoisotopic Mass: 2.0
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]+	205.96337	129.5
[M+Na]+	227.94531	131.3
[M+NH4]+	222.98991	135.6
[M+K]+	243.91925	131.1
[M-H]-	203.94881	130.8
[M+Na-2H]-	225.93076	132.7
[M]+	204.95554	129.3
[M]-	204.95664	129.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe