CID 39870347

2-(1-aminocyclobutyl)-1h-imidazole-4-carboxylic acid

Structural Information

Molecular Formula
C8H11N3O2
SMILES
C1CC(C1)(C2=NC=C(N2)C(=O)O)N
InChI
InChI=1S/C8H11N3O2/c9-8(2-1-3-8)7-10-4-5(11-7)6(12)13/h4H,1-3,9H2,(H,10,11)(H,12,13)
InChIKey
NBNOGOBDFVJJDQ-UHFFFAOYSA-N
Compound name
2-(1-aminocyclobutyl)-1H-imidazole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

181.08513 Da
Monoisotopic Mass

-2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.09241 140.7
[M+Na]+ 204.07435 146.1
[M-H]- 180.07785 141.9
[M+NH4]+ 199.11895 152.9
[M+K]+ 220.04829 146.5
[M+H-H2O]+ 164.08239 129.1
[M+HCOO]- 226.08333 158.7
[M+CH3COO]- 240.09898 179.4
[M+Na-2H]- 202.05980 143.8
[M]+ 181.08458 144.4
[M]- 181.08568 144.4
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.