CID 170446

2-amino-1h-imidazole-4,5-dicarbonitrile

Structural Information

Molecular Formula
C5H3N5
SMILES
C(#N)C1=C(N=C(N1)N)C#N
InChI
InChI=1S/C5H3N5/c6-1-3-4(2-7)10-5(8)9-3/h(H3,8,9,10)
InChIKey
MLOXIXGLIZLPDP-UHFFFAOYSA-N
Compound name
2-amino-1H-imidazole-4,5-dicarbonitrile
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

639
Patents

133.03885 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 134.04613 139.5
[M+Na]+ 156.02807 148.9
[M-H]- 132.03157 139.4
[M+NH4]+ 151.07267 151.9
[M+K]+ 172.00201 146.9
[M+H-H2O]+ 116.03611 122.7
[M+HCOO]- 178.03705 151.0
[M+CH3COO]- 192.05270 207.7
[M+Na-2H]- 154.01352 141.5
[M]+ 133.03830 128.9
[M]- 133.03940 128.9
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