CID 136574196

4-methyl-2-(piperidin-4-yl)-1h-imidazole-5-carboxylic acid dihydrochloride

Structural Information

Molecular Formula
C10H15N3O2
SMILES
CC1=C(N=C(N1)C2CCNCC2)C(=O)O
InChI
InChI=1S/C10H15N3O2/c1-6-8(10(14)15)13-9(12-6)7-2-4-11-5-3-7/h7,11H,2-5H2,1H3,(H,12,13)(H,14,15)
InChIKey
WWGVYZSUOSNONE-UHFFFAOYSA-N
Compound name
5-methyl-2-piperidin-4-yl-1H-imidazole-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

209.11642 Da
Monoisotopic Mass

-1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.12370 148.9
[M+Na]+ 232.10564 154.6
[M-H]- 208.10914 147.3
[M+NH4]+ 227.15024 163.1
[M+K]+ 248.07958 150.4
[M+H-H2O]+ 192.11368 141.0
[M+HCOO]- 254.11462 162.2
[M+CH3COO]- 268.13027 178.2
[M+Na-2H]- 230.09109 149.3
[M]+ 209.11587 141.4
[M]- 209.11697 141.4
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.