CID 212000

Benzo(b)thiophene-3-ethylamine, 5-chloro-n,n-dimethyl-, hydrochloride

Structural Information

Molecular Formula
C12H14ClNS
SMILES
CN(C)CCC1=CSC2=C1C=C(C=C2)Cl
InChI
InChI=1S/C12H14ClNS/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
GXMQCUIDZTUNHV-UHFFFAOYSA-N
Compound name
2-(5-chloro-1-benzothiophen-3-yl)-N,N-dimethylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

239.05354 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.06082 150.6
[M+Na]+ 262.04276 164.8
[M+NH4]+ 257.08736 161.7
[M+K]+ 278.01670 155.7
[M-H]- 238.04626 155.2
[M+Na-2H]- 260.02821 157.8
[M]+ 239.05299 154.9
[M]- 239.05409 154.9
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

No patent data available for this compound.