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]+ 168.14952 141.1
[M+Na]+ 190.13146 143.8
[M-H]- 166.13496 139.0
[M+NH4]+ 185.17606 155.2
[M+K]+ 206.10540 139.9
[M+H-H2O]+ 150.13950 132.1
[M+HCOO]- 212.14044 152.8
[M+CH3COO]- 226.15609 149.9
[M+Na-2H]- 188.11691 145.6
[M]+ 167.14169 129.0
[M]- 167.14279 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.