CID 15516969

2-(piperidin-4-yl)pyrimidine dihydrochloride

Structural Information

Molecular Formula
C9H13N3
SMILES
C1CNCCC1C2=NC=CC=N2
InChI
InChI=1S/C9H13N3/c1-4-11-9(12-5-1)8-2-6-10-7-3-8/h1,4-5,8,10H,2-3,6-7H2
InChIKey
OLYYSYUUMYTBLJ-UHFFFAOYSA-N
Compound name
2-piperidin-4-ylpyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

149
Patents

163.11095 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.11823 136.5
[M+Na]+ 186.10017 141.8
[M-H]- 162.10367 136.6
[M+NH4]+ 181.14477 151.7
[M+K]+ 202.07411 138.3
[M+H-H2O]+ 146.10821 127.4
[M+HCOO]- 208.10915 152.6
[M+CH3COO]- 222.12480 147.2
[M+Na-2H]- 184.08562 143.8
[M]+ 163.11040 129.1
[M]- 163.11150 129.1
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