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

5
Patents

211.13208 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.13936 149.2
[M+Na]+ 234.12130 156.6
[M-H]- 210.12480 148.5
[M+NH4]+ 229.16590 166.3
[M+K]+ 250.09524 154.1
[M+H-H2O]+ 194.12934 141.9
[M+HCOO]- 256.13028 170.1
[M+CH3COO]- 270.14593 187.1
[M+Na-2H]- 232.10675 150.7
[M]+ 211.13153 149.7
[M]- 211.13263 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