CID 9679

5-aminoimidazole-4-carboxamide

Structural Information

Molecular Formula
C4H6N4O
SMILES
C1=NC(=C(N1)C(=O)N)N
InChI
InChI=1S/C4H6N4O/c5-3-2(4(6)9)7-1-8-3/h1H,5H2,(H2,6,9)(H,7,8)
InChIKey
DVNYTAVYBRSTGK-UHFFFAOYSA-N
Compound name
4-amino-1H-imidazole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
8
Annotation Hits

2111
References

4571
Patents

126.05416 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 127.06144 122.7
[M+Na]+ 149.04338 130.9
[M-H]- 125.04688 122.1
[M+NH4]+ 144.08798 142.1
[M+K]+ 165.01732 129.0
[M+H-H2O]+ 109.05142 115.8
[M+HCOO]- 171.05236 145.8
[M+CH3COO]- 185.06801 170.8
[M+Na-2H]- 147.02883 127.4
[M]+ 126.05361 117.5
[M]- 126.05471 117.5
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