CID 18072696

1-(5-methylthiophene-2-carbonyl)piperazine hydrochloride

Structural Information

Molecular Formula
C10H14N2OS
SMILES
CC1=CC=C(S1)C(=O)N2CCNCC2
InChI
InChI=1S/C10H14N2OS/c1-8-2-3-9(14-8)10(13)12-6-4-11-5-7-12/h2-3,11H,4-7H2,1H3
InChIKey
HYBUAYDKCHZAGB-UHFFFAOYSA-N
Compound name
(5-methylthiophen-2-yl)-piperazin-1-ylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

210.08269 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.08997 146.9
[M+Na]+ 233.07191 153.3
[M-H]- 209.07541 149.3
[M+NH4]+ 228.11651 164.6
[M+K]+ 249.04585 149.9
[M+H-H2O]+ 193.07995 139.8
[M+HCOO]- 255.08089 159.4
[M+CH3COO]- 269.09654 158.0
[M+Na-2H]- 231.05736 145.9
[M]+ 210.08214 143.2
[M]- 210.08324 143.2
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