CID 131517267

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

Structural Information

Molecular Formula
C6H8ClN3O2
SMILES
CCOC(=O)C1=C(NC(=N1)N)Cl
InChI
InChI=1S/C6H8ClN3O2/c1-2-12-5(11)3-4(7)10-6(8)9-3/h2H2,1H3,(H3,8,9,10)
InChIKey
HLQWHUMJTWBQEH-UHFFFAOYSA-N
Compound name
ethyl 2-amino-5-chloro-1H-imidazole-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

189.0305 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.03778 137.1
[M+Na]+ 212.01972 146.9
[M-H]- 188.02322 136.9
[M+NH4]+ 207.06432 155.8
[M+K]+ 227.99366 143.4
[M+H-H2O]+ 172.02776 131.1
[M+HCOO]- 234.02870 154.7
[M+CH3COO]- 248.04435 178.9
[M+Na-2H]- 210.00517 140.2
[M]+ 189.02995 137.9
[M]- 189.03105 137.9
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.