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]+ 249.15976 158.8
[M+Na]+ 271.14170 162.8
[M-H]- 247.14520 161.0
[M+NH4]+ 266.18630 174.8
[M+K]+ 287.11564 159.2
[M+H-H2O]+ 231.14974 150.4
[M+HCOO]- 293.15068 171.9
[M+CH3COO]- 307.16633 168.2
[M+Na-2H]- 269.12715 159.0
[M]+ 248.15193 151.7
[M]- 248.15303 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.