CID 2763915

1-(6-chloropyridazin-3-yl)piperidine-4-carboxylic acid

Structural Information

Molecular Formula
C10H12ClN3O2
SMILES
C1CN(CCC1C(=O)O)C2=NN=C(C=C2)Cl
InChI
InChI=1S/C10H12ClN3O2/c11-8-1-2-9(13-12-8)14-5-3-7(4-6-14)10(15)16/h1-2,7H,3-6H2,(H,15,16)
InChIKey
DLQSEGIGDCETIS-UHFFFAOYSA-N
Compound name
1-(6-chloropyridazin-3-yl)piperidine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

28
Patents

241.0618 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.069076 150.9
[M+Na]+ 264.051018 158.2
[M-H]- 240.054524 151.6
[M+NH4]+ 259.095623 164.1
[M+K]+ 280.024958 153.7
[M+H-H2O]+ 224.059060 142.3
[M+HCOO]- 286.060001 161.7
[M+CH3COO]- 300.075651 186.9
[M+Na-2H]- 262.036466 154.6
[M]+ 241.06125142 148.2
[M]- 241.06234858 148.2
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