CID 177798109

3-[(tert-butoxy)carbonyl]pyrazolo[1,5-a]pyridine-5-carboxylic acid

Structural Information

Molecular Formula
C13H14N2O4
SMILES
CC(C)(C)OC(=O)C1=C2C=C(C=CN2N=C1)C(=O)O
InChI
InChI=1S/C13H14N2O4/c1-13(2,3)19-12(18)9-7-14-15-5-4-8(11(16)17)6-10(9)15/h4-7H,1-3H3,(H,16,17)
InChIKey
UNLBKSWRXYZFDC-UHFFFAOYSA-N
Compound name
3-[(2-methylpropan-2-yl)oxycarbonyl]pyrazolo[1,5-a]pyridine-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

262.09537 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.102646 157.9
[M+Na]+ 285.084588 167.5
[M-H]- 261.088094 159.6
[M+NH4]+ 280.129193 174.5
[M+K]+ 301.058528 165.4
[M+H-H2O]+ 245.092630 151.5
[M+HCOO]- 307.093571 176.7
[M+CH3COO]- 321.109221 192.9
[M+Na-2H]- 283.070036 162.5
[M]+ 262.09482142 162.7
[M]- 262.09591858 162.7
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.