CID 16394944

4-(pyridin-2-yl)piperazine-1-carbonyl chloride hydrochloride

Structural Information

Molecular Formula
C10H12ClN3O
SMILES
C1CN(CCN1C2=CC=CC=N2)C(=O)Cl
InChI
InChI=1S/C10H12ClN3O/c11-10(15)14-7-5-13(6-8-14)9-3-1-2-4-12-9/h1-4H,5-8H2
InChIKey
BRRZSLZZTOPNLG-UHFFFAOYSA-N
Compound name
4-pyridin-2-ylpiperazine-1-carbonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

225.0669 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.074176 148.0
[M+Na]+ 248.056118 154.9
[M-H]- 224.059624 149.5
[M+NH4]+ 243.100723 162.3
[M+K]+ 264.030058 150.7
[M+H-H2O]+ 208.064160 138.8
[M+HCOO]- 270.065101 160.0
[M+CH3COO]- 284.080751 158.7
[M+Na-2H]- 246.041566 152.8
[M]+ 225.06635142 145.1
[M]- 225.06744858 145.1
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

patents stripe