CID 45054395

5-(1,4,5,6-tetrahydropyrimidin-2-yl)pyridin-2-amine

Structural Information

Molecular Formula
C9H12N4
SMILES
C1CNC(=NC1)C2=CN=C(C=C2)N
InChI
InChI=1S/C9H12N4/c10-8-3-2-7(6-13-8)9-11-4-1-5-12-9/h2-3,6H,1,4-5H2,(H2,10,13)(H,11,12)
InChIKey
MQUKWIXXEYVBMH-UHFFFAOYSA-N
Compound name
5-(1,4,5,6-tetrahydropyrimidin-2-yl)pyridin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

176.1062 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.113476 139.0
[M+Na]+ 199.095418 145.5
[M-H]- 175.098924 139.4
[M+NH4]+ 194.140023 153.4
[M+K]+ 215.069358 141.1
[M+H-H2O]+ 159.103460 130.0
[M+HCOO]- 221.104401 157.0
[M+CH3COO]- 235.120051 149.8
[M+Na-2H]- 197.080866 146.1
[M]+ 176.10565142 131.8
[M]- 176.10674858 131.8
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