CID 145900252

2377033-42-4

Structural Information

Molecular Formula
C6H7N5
SMILES
C1=C(C(=NC(=N1)CN)N)C#N
InChI
InChI=1S/C6H7N5/c7-1-4-3-10-5(2-8)11-6(4)9/h3H,2,8H2,(H2,9,10,11)
InChIKey
NALAJHLNBVODRS-UHFFFAOYSA-N
Compound name
4-amino-2-(aminomethyl)pyrimidine-5-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

149.07014 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 150.07742 134.0
[M+Na]+ 172.05936 144.7
[M+NH4]+ 167.10396 137.8
[M+K]+ 188.03330 136.7
[M-H]- 148.06286 128.3
[M+Na-2H]- 170.04481 137.5
[M]+ 149.06959 132.8
[M]- 149.07069 132.8
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

No patent data available for this compound.