CID 137963877

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

Structural Information

Molecular Formula
C8H13N3O2
SMILES
CCC1=C(N=C(N1)N)C(=O)OCC
InChI
InChI=1S/C8H13N3O2/c1-3-5-6(7(12)13-4-2)11-8(9)10-5/h3-4H2,1-2H3,(H3,9,10,11)
InChIKey
QBWVHRSCMOLVOH-UHFFFAOYSA-N
Compound name
ethyl 2-amino-5-ethyl-1H-imidazole-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

183.10077 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.10805 140.2
[M+Na]+ 206.08999 148.5
[M-H]- 182.09349 139.9
[M+NH4]+ 201.13459 158.4
[M+K]+ 222.06393 146.4
[M+H-H2O]+ 166.09803 133.2
[M+HCOO]- 228.09897 161.8
[M+CH3COO]- 242.11462 181.1
[M+Na-2H]- 204.07544 142.7
[M]+ 183.10022 140.0
[M]- 183.10132 140.0
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.