CID 84652858

2-(piperidin-4-yl)-1,4,5,6-tetrahydropyrimidine dihydrochloride

Structural Information

Molecular Formula
C9H17N3
SMILES
C1CNC(=NC1)C2CCNCC2
InChI
InChI=1S/C9H17N3/c1-4-11-9(12-5-1)8-2-6-10-7-3-8/h8,10H,1-7H2,(H,11,12)
InChIKey
MPZNPBVUTKFMEY-UHFFFAOYSA-N
Compound name
2-piperidin-4-yl-1,4,5,6-tetrahydropyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

167.14224 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.149516 141.1
[M+Na]+ 190.131458 143.8
[M-H]- 166.134964 139.0
[M+NH4]+ 185.176063 155.2
[M+K]+ 206.105398 139.9
[M+H-H2O]+ 150.139500 132.1
[M+HCOO]- 212.140441 152.8
[M+CH3COO]- 226.156091 149.9
[M+Na-2H]- 188.116906 145.6
[M]+ 167.14169142 129.0
[M]- 167.14278858 129.0
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

No patent data available for this compound.