CID 25202832

Akos006365992

Structural Information

Molecular Formula
C4H6N4O
SMILES
C1=NC(C(=N1)N)C(=O)N
InChI
InChI=1S/C4H6N4O/c5-3-2(4(6)9)7-1-8-3/h1-2H,(H2,6,9)(H2,5,7,8)
InChIKey
PYNDTGFTPOZGRW-UHFFFAOYSA-N
Compound name
5-amino-4H-imidazole-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

126.05416 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 127.06144 122.1
[M+Na]+ 149.04338 130.7
[M-H]- 125.04688 122.9
[M+NH4]+ 144.08798 142.3
[M+K]+ 165.01732 129.7
[M+H-H2O]+ 109.05142 114.9
[M+HCOO]- 171.05236 146.7
[M+CH3COO]- 185.06801 173.3
[M+Na-2H]- 147.02883 127.3
[M]+ 126.05361 118.8
[M]- 126.05471 118.8
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.