CID 83869343

1427411-54-8

Structural Information

Molecular Formula
C11H11ClN2O2
SMILES
CC(C)C1=NC(=C2N1C=C(C=C2)Cl)C(=O)O
InChI
InChI=1S/C11H11ClN2O2/c1-6(2)10-13-9(11(15)16)8-4-3-7(12)5-14(8)10/h3-6H,1-2H3,(H,15,16)
InChIKey
WXXQONILZGGSQL-UHFFFAOYSA-N
Compound name
6-chloro-3-propan-2-ylimidazo[1,5-a]pyridine-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

238.0509 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.058176 148.6
[M+Na]+ 261.040118 160.2
[M-H]- 237.043624 150.2
[M+NH4]+ 256.084723 167.2
[M+K]+ 277.014058 155.5
[M+H-H2O]+ 221.048160 142.7
[M+HCOO]- 283.049101 164.4
[M+CH3COO]- 297.064751 189.5
[M+Na-2H]- 259.025566 151.9
[M]+ 238.05035142 153.4
[M]- 238.05144858 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.