CID 11651319

1-(3-chloropyridin-4-yl)piperazine

Structural Information

Molecular Formula
C9H12ClN3
SMILES
C1CN(CCN1)C2=C(C=NC=C2)Cl
InChI
InChI=1S/C9H12ClN3/c10-8-7-12-2-1-9(8)13-5-3-11-4-6-13/h1-2,7,11H,3-6H2
InChIKey
WZZPTVIAALKWBS-UHFFFAOYSA-N
Compound name
1-(3-chloro-4-pyridinyl)piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

24
Patents

197.07198 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.079256 142.2
[M+Na]+ 220.061198 149.0
[M-H]- 196.064704 142.2
[M+NH4]+ 215.105803 157.0
[M+K]+ 236.035138 143.8
[M+H-H2O]+ 180.069240 133.4
[M+HCOO]- 242.070181 153.5
[M+CH3COO]- 256.085831 152.7
[M+Na-2H]- 218.046646 148.1
[M]+ 197.07143142 137.0
[M]- 197.07252858 137.0
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

patents stripe