CID 61802649

211929-24-7

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

183.10077 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.108046 140.2
[M+Na]+ 206.089988 148.5
[M-H]- 182.093494 139.9
[M+NH4]+ 201.134593 158.4
[M+K]+ 222.063928 146.4
[M+H-H2O]+ 166.098030 133.2
[M+HCOO]- 228.098971 161.8
[M+CH3COO]- 242.114621 181.1
[M+Na-2H]- 204.075436 142.7
[M]+ 183.10022142 140.0
[M]- 183.10131858 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

patents stripe