CID 16769822

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

Structural Information

Molecular Formula
C9H11N3O3S
SMILES
C1CN(CCN1)C(=O)C2=CC=C(S2)[N+](=O)[O-]
InChI
InChI=1S/C9H11N3O3S/c13-9(11-5-3-10-4-6-11)7-1-2-8(16-7)12(14)15/h1-2,10H,3-6H2
InChIKey
UMXPZCMMEGXOTC-UHFFFAOYSA-N
Compound name
(5-nitrothiophen-2-yl)-piperazin-1-ylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

241.05211 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.05939 150.2
[M+Na]+ 264.04133 154.9
[M-H]- 240.04483 152.7
[M+NH4]+ 259.08593 165.2
[M+K]+ 280.01527 147.8
[M+H-H2O]+ 224.04937 147.3
[M+HCOO]- 286.05031 164.1
[M+CH3COO]- 300.06596 178.1
[M+Na-2H]- 262.02678 152.2
[M]+ 241.05156 144.1
[M]- 241.05266 144.1
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.