CID 10631607

[1-(pyrimidin-2-yl)piperidin-4-yl]methanamine dihydrochloride

Structural Information

Molecular Formula
C10H16N4
SMILES
C1CN(CCC1CN)C2=NC=CC=N2
InChI
InChI=1S/C10H16N4/c11-8-9-2-6-14(7-3-9)10-12-4-1-5-13-10/h1,4-5,9H,2-3,6-8,11H2
InChIKey
ZADAPLCYCBLHPU-UHFFFAOYSA-N
Compound name
(1-pyrimidin-2-ylpiperidin-4-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

27
Patents

192.1375 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.14478 144.6
[M+Na]+ 215.12672 150.1
[M-H]- 191.13022 145.8
[M+NH4]+ 210.17132 159.0
[M+K]+ 231.10066 146.6
[M+H-H2O]+ 175.13476 134.9
[M+HCOO]- 237.13570 162.4
[M+CH3COO]- 251.15135 155.1
[M+Na-2H]- 213.11217 150.6
[M]+ 192.13695 138.2
[M]- 192.13805 138.2
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