CID 86775501

Ethyl 5-amino-1-(piperidin-4-yl)-1h-imidazole-4-carboxylate

Structural Information

Molecular Formula
C11H18N4O2
SMILES
CCOC(=O)C1=C(N(C=N1)C2CCNCC2)N
InChI
InChI=1S/C11H18N4O2/c1-2-17-11(16)9-10(12)15(7-14-9)8-3-5-13-6-4-8/h7-8,13H,2-6,12H2,1H3
InChIKey
KGFUXFGEVRMONM-UHFFFAOYSA-N
Compound name
ethyl 5-amino-1-piperidin-4-ylimidazole-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

238.14297 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.150246 155.7
[M+Na]+ 261.132188 160.9
[M-H]- 237.135694 156.2
[M+NH4]+ 256.176793 169.6
[M+K]+ 277.106128 157.9
[M+H-H2O]+ 221.140230 146.7
[M+HCOO]- 283.141171 172.1
[M+CH3COO]- 297.156821 189.8
[M+Na-2H]- 259.117636 156.1
[M]+ 238.14242142 150.4
[M]- 238.14351858 150.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.