CID 165944166

5-chloro-2-(1,2,3,6-tetrahydropyridin-4-yl)pyrimidine hydrochloride

Structural Information

Molecular Formula
C9H10ClN3
SMILES
C1CNCC=C1C2=NC=C(C=N2)Cl
InChI
InChI=1S/C9H10ClN3/c10-8-5-12-9(13-6-8)7-1-3-11-4-2-7/h1,5-6,11H,2-4H2
InChIKey
OMMTUJBJMIXVJJ-UHFFFAOYSA-N
Compound name
5-chloro-2-(1,2,3,6-tetrahydropyridin-4-yl)pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

195.05632 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.063596 140.2
[M+Na]+ 218.045538 148.1
[M-H]- 194.049044 140.7
[M+NH4]+ 213.090143 155.2
[M+K]+ 234.019478 142.7
[M+H-H2O]+ 178.053580 131.6
[M+HCOO]- 240.054521 153.0
[M+CH3COO]- 254.070171 151.4
[M+Na-2H]- 216.030986 147.3
[M]+ 195.05577142 136.5
[M]- 195.05686858 136.5
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