CID 75447692

3-cyclohexyl-5h,6h,7h,8h-imidazo[1,5-a]pyridine-7-carboxylic acid hydrochloride

Structural Information

Molecular Formula
C14H20N2O2
SMILES
C1CCC(CC1)C2=NC=C3N2CCC(C3)C(=O)O
InChI
InChI=1S/C14H20N2O2/c17-14(18)11-6-7-16-12(8-11)9-15-13(16)10-4-2-1-3-5-10/h9-11H,1-8H2,(H,17,18)
InChIKey
JIBWGTQTPFSTFR-UHFFFAOYSA-N
Compound name
3-cyclohexyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

248.15248 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.159756 158.8
[M+Na]+ 271.141698 162.8
[M-H]- 247.145204 161.0
[M+NH4]+ 266.186303 174.8
[M+K]+ 287.115638 159.2
[M+H-H2O]+ 231.149740 150.4
[M+HCOO]- 293.150681 171.9
[M+CH3COO]- 307.166331 168.2
[M+Na-2H]- 269.127146 159.0
[M]+ 248.15193142 151.7
[M]- 248.15302858 151.7
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.