CID 31583

5-bromo-n,n-dimethylbenzo(b)thiophene-3-ethylamine hydrochloride

Structural Information

Molecular Formula
C12H14BrNS
SMILES
CN(C)CCC1=CSC2=C1C=C(C=C2)Br
InChI
InChI=1S/C12H14BrNS/c1-14(2)6-5-9-8-15-12-4-3-10(13)7-11(9)12/h3-4,7-8H,5-6H2,1-2H3
InChIKey
XEZUDHLQTMLRQR-UHFFFAOYSA-N
Compound name
2-(5-bromo-1-benzothiophen-3-yl)-N,N-dimethylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

283.00302 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.01030 150.3
[M+Na]+ 305.99224 163.9
[M-H]- 281.99574 159.6
[M+NH4]+ 301.03684 174.4
[M+K]+ 321.96618 152.3
[M+H-H2O]+ 266.00028 150.5
[M+HCOO]- 328.00122 170.0
[M+CH3COO]- 342.01687 201.0
[M+Na-2H]- 303.97769 155.4
[M]+ 283.00247 174.3
[M]- 283.00357 174.3
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

patents stripe