CID 50988459

2-chloro-1-[4-(thiophen-3-ylmethyl)piperazin-1-yl]ethan-1-one hydrochloride

Structural Information

Molecular Formula
C11H15ClN2OS
SMILES
C1CN(CCN1CC2=CSC=C2)C(=O)CCl
InChI
InChI=1S/C11H15ClN2OS/c12-7-11(15)14-4-2-13(3-5-14)8-10-1-6-16-9-10/h1,6,9H,2-5,7-8H2
InChIKey
WPOQXWCCIJIZAH-UHFFFAOYSA-N
Compound name
2-chloro-1-[4-(thiophen-3-ylmethyl)piperazin-1-yl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

258.05936 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.06664 156.6
[M+Na]+ 281.04858 167.8
[M+NH4]+ 276.09318 165.1
[M+K]+ 297.02252 160.5
[M-H]- 257.05208 158.8
[M+Na-2H]- 279.03403 161.6
[M]+ 258.05881 159.3
[M]- 258.05991 159.3
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

No patent data available for this compound.