CID 606255

2,4-diamino-6-piperidinopyrimidine

Structural Information

Molecular Formula
C9H15N5
SMILES
C1CCN(CC1)C2=NC(=NC(=C2)N)N
InChI
InChI=1S/C9H15N5/c10-7-6-8(13-9(11)12-7)14-4-2-1-3-5-14/h6H,1-5H2,(H4,10,11,12,13)
InChIKey
IPFIEHIRBSTAKA-UHFFFAOYSA-N
Compound name
6-piperidin-1-ylpyrimidine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

741
Patents

193.13275 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.140026 144.4
[M+Na]+ 216.121968 150.5
[M-H]- 192.125474 145.7
[M+NH4]+ 211.166573 158.5
[M+K]+ 232.095908 146.8
[M+H-H2O]+ 176.130010 135.0
[M+HCOO]- 238.130951 163.0
[M+CH3COO]- 252.146601 154.9
[M+Na-2H]- 214.107416 149.6
[M]+ 193.13220142 136.5
[M]- 193.13329858 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

literature stripe

Patent stripe

patents stripe