CID 21073187

1-(benzo[b]thiophen-4-yl)piperazine

Structural Information

Molecular Formula
C12H14N2S
SMILES
C1CN(CCN1)C2=C3C=CSC3=CC=C2
InChI
InChI=1S/C12H14N2S/c1-2-11(14-7-5-13-6-8-14)10-4-9-15-12(10)3-1/h1-4,9,13H,5-8H2
InChIKey
VMIRJNDPLCQEHB-UHFFFAOYSA-N
Compound name
1-(1-benzothiophen-4-yl)piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

423
Patents

218.08777 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.09505 145.1
[M+Na]+ 241.07699 153.5
[M-H]- 217.08049 148.7
[M+NH4]+ 236.12159 163.7
[M+K]+ 257.05093 148.2
[M+H-H2O]+ 201.08503 138.0
[M+HCOO]- 263.08597 159.2
[M+CH3COO]- 277.10162 157.0
[M+Na-2H]- 239.06244 148.4
[M]+ 218.08722 142.5
[M]- 218.08832 142.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe