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]+ 150.077416 130.4
[M+Na]+ 172.059358 140.1
[M-H]- 148.062864 130.1
[M+NH4]+ 167.103963 145.9
[M+K]+ 188.033298 138.1
[M+H-H2O]+ 132.067400 116.3
[M+HCOO]- 194.068341 149.9
[M+CH3COO]- 208.083991 192.1
[M+Na-2H]- 170.044806 136.5
[M]+ 149.06959142 122.3
[M]- 149.07068858 122.3
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.