CID 16227782

930395-71-4

Structural Information

Molecular Formula
C13H15N3O2
SMILES
C1CCN(C1)CC2=CN3C=CC=C(C3=N2)C(=O)O
InChI
InChI=1S/C13H15N3O2/c17-13(18)11-4-3-7-16-9-10(14-12(11)16)8-15-5-1-2-6-15/h3-4,7,9H,1-2,5-6,8H2,(H,17,18)
InChIKey
IGLXARCHGFRGSR-UHFFFAOYSA-N
Compound name
2-(pyrrolidin-1-ylmethyl)imidazo[1,2-a]pyridine-8-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

245.11642 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.123696 154.5
[M+Na]+ 268.105638 162.9
[M-H]- 244.109144 157.5
[M+NH4]+ 263.150243 171.6
[M+K]+ 284.079578 159.1
[M+H-H2O]+ 228.113680 146.2
[M+HCOO]- 290.114621 173.4
[M+CH3COO]- 304.130271 166.2
[M+Na-2H]- 266.091086 156.4
[M]+ 245.11587142 154.3
[M]- 245.11696858 154.3
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.