CID 136575571

2193067-38-6

Structural Information

Molecular Formula
C8H9IN2O2
SMILES
C1CCN2C(=C(C(=N2)C(=O)O)I)C1
InChI
InChI=1S/C8H9IN2O2/c9-6-5-3-1-2-4-11(5)10-7(6)8(12)13/h1-4H2,(H,12,13)
InChIKey
AMBYXYXDLPTIOC-UHFFFAOYSA-N
Compound name
3-iodo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

291.9709 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.97818 140.3
[M+Na]+ 314.96012 141.5
[M-H]- 290.96362 134.0
[M+NH4]+ 310.00472 154.8
[M+K]+ 330.93406 145.1
[M+H-H2O]+ 274.96816 130.4
[M+HCOO]- 336.96910 153.6
[M+CH3COO]- 350.98475 187.0
[M+Na-2H]- 312.94557 132.8
[M]+ 291.97035 135.8
[M]- 291.97145 135.8
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.