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 151.3
[M+Na]+ 262.04276 162.2
[M-H]- 238.04626 158.1
[M+NH4]+ 257.08736 174.4
[M+K]+ 278.01670 157.5
[M+H-H2O]+ 222.05080 146.5
[M+HCOO]- 284.05174 168.6
[M+CH3COO]- 298.06739 195.6
[M+Na-2H]- 260.02821 154.2
[M]+ 239.05299 159.0
[M]- 239.05409 159.0
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.