CID 59332723

[(5-bromothiophen-2-yl)methyl]dimethylamine hydrochloride

Structural Information

Molecular Formula

C₇H₁₀BrNS

SMILES

CN(C)CC1=CC=C(S1)Br

InChI

InChI=1S/C7H10BrNS/c1-9(2)5-6-3-4-7(8)10-6/h3-4H,5H2,1-2H3

InChIKey

IZRJBXUOWQPIKM-UHFFFAOYSA-N

Compound name

1-(5-bromothiophen-2-yl)-N,N-dimethylmethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 8
Patents: 218.97173 Da
Monoisotopic Mass: 2.5
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]+	219.97901	134.2
[M+Na]+	241.96095	146.9
[M-H]-	217.96445	142.6
[M+NH4]+	237.00555	159.4
[M+K]+	257.93489	136.6
[M+H-H2O]+	201.96899	134.4
[M+HCOO]-	263.96993	154.0
[M+CH3COO]-	277.98558	188.9
[M+Na-2H]-	239.94640	138.5
[M]+	218.97118	155.7
[M]-	218.97228	155.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe