CID 129846031

2167788-07-8

Structural Information

Molecular Formula
C8H7N5
SMILES
C1=CN=C(N=C1)C2=CN=C(N=C2)N
InChI
InChI=1S/C8H7N5/c9-8-12-4-6(5-13-8)7-10-2-1-3-11-7/h1-5H,(H2,9,12,13)
InChIKey
YOYKBUCQHFKKBC-UHFFFAOYSA-N
Compound name
5-pyrimidin-2-ylpyrimidin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

173.07014 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.07742 136.1
[M+Na]+ 196.05936 145.6
[M-H]- 172.06286 137.3
[M+NH4]+ 191.10396 150.1
[M+K]+ 212.03330 141.5
[M+H-H2O]+ 156.06740 126.3
[M+HCOO]- 218.06834 157.4
[M+CH3COO]- 232.08399 148.4
[M+Na-2H]- 194.04481 146.4
[M]+ 173.06959 133.7
[M]- 173.07069 133.7
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