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]+ 177.11348 139.0
[M+Na]+ 199.09542 145.5
[M-H]- 175.09892 139.4
[M+NH4]+ 194.14002 153.4
[M+K]+ 215.06936 141.1
[M+H-H2O]+ 159.10346 130.0
[M+HCOO]- 221.10440 157.0
[M+CH3COO]- 235.12005 149.8
[M+Na-2H]- 197.08087 146.1
[M]+ 176.10565 131.8
[M]- 176.10675 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