CID 19106923

Ethyl 4-amino-2-butyl-1h-imidazole-5-carboxylate

Structural Information

Molecular Formula
C10H17N3O2
SMILES
CCCCC1=NC(=C(N1)C(=O)OCC)N
InChI
InChI=1S/C10H17N3O2/c1-3-5-6-7-12-8(9(11)13-7)10(14)15-4-2/h3-6,11H2,1-2H3,(H,12,13)
InChIKey
RNJYAWJXRCVBGF-UHFFFAOYSA-N
Compound name
ethyl 4-amino-2-butyl-1H-imidazole-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

211.13208 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.139356 149.2
[M+Na]+ 234.121298 156.6
[M-H]- 210.124804 148.5
[M+NH4]+ 229.165903 166.3
[M+K]+ 250.095238 154.1
[M+H-H2O]+ 194.129340 141.9
[M+HCOO]- 256.130281 170.1
[M+CH3COO]- 270.145931 187.1
[M+Na-2H]- 232.106746 150.7
[M]+ 211.13153142 149.7
[M]- 211.13262858 149.7
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

patents stripe