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 130.4
[M+Na]+ 172.05936 140.1
[M-H]- 148.06286 130.1
[M+NH4]+ 167.10396 145.9
[M+K]+ 188.03330 138.1
[M+H-H2O]+ 132.06740 116.3
[M+HCOO]- 194.06834 149.9
[M+CH3COO]- 208.08399 192.1
[M+Na-2H]- 170.04481 136.5
[M]+ 149.06959 122.3
[M]- 149.07069 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.