CID 16740794

2-(thiophen-3-yl)piperazine

Structural Information

Molecular Formula
C8H12N2S
SMILES
C1CNC(CN1)C2=CSC=C2
InChI
InChI=1S/C8H12N2S/c1-4-11-6-7(1)8-5-9-2-3-10-8/h1,4,6,8-10H,2-3,5H2
InChIKey
CNCNNYFNOXHYAC-UHFFFAOYSA-N
Compound name
2-thiophen-3-ylpiperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

168.07211 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.07939 134.8
[M+Na]+ 191.06133 140.9
[M-H]- 167.06483 135.7
[M+NH4]+ 186.10593 153.3
[M+K]+ 207.03527 136.7
[M+H-H2O]+ 151.06937 128.1
[M+HCOO]- 213.07031 147.2
[M+CH3COO]- 227.08596 146.0
[M+Na-2H]- 189.04678 136.2
[M]+ 168.07156 128.2
[M]- 168.07266 128.2
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