CID 3071895

1h-imidazole-4-carboxylic acid, 5-methyl-2-(1-piperidinyl)-, ethyl ester, monohydrochloride

Structural Information

Molecular Formula
C12H19N3O2
SMILES
CCOC(=O)C1=C(NC(=N1)N2CCCCC2)C
InChI
InChI=1S/C12H19N3O2/c1-3-17-11(16)10-9(2)13-12(14-10)15-7-5-4-6-8-15/h3-8H2,1-2H3,(H,13,14)
InChIKey
UWCKNJLEUBWXOW-UHFFFAOYSA-N
Compound name
ethyl 5-methyl-2-piperidin-1-yl-1H-imidazole-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

237.14772 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.154996 156.7
[M+Na]+ 260.136938 162.3
[M-H]- 236.140444 157.4
[M+NH4]+ 255.181543 171.2
[M+K]+ 276.110878 159.5
[M+H-H2O]+ 220.144980 147.8
[M+HCOO]- 282.145921 172.3
[M+CH3COO]- 296.161571 188.3
[M+Na-2H]- 258.122386 156.9
[M]+ 237.14717142 153.4
[M]- 237.14826858 153.4
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.