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

12
Patents

225.0669 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.07418 148.0
[M+Na]+ 248.05612 154.9
[M-H]- 224.05962 149.5
[M+NH4]+ 243.10072 162.3
[M+K]+ 264.03006 150.7
[M+H-H2O]+ 208.06416 138.8
[M+HCOO]- 270.06510 160.0
[M+CH3COO]- 284.08075 158.7
[M+Na-2H]- 246.04157 152.8
[M]+ 225.06635 145.1
[M]- 225.06745 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