CID 4316440

6-(1h-1,3-benzodiazol-1-yl)pyridine-3-carboxylic acid

Structural Information

Molecular Formula
C13H9N3O2
SMILES
C1=CC=C2C(=C1)N=CN2C3=NC=C(C=C3)C(=O)O
InChI
InChI=1S/C13H9N3O2/c17-13(18)9-5-6-12(14-7-9)16-8-15-10-3-1-2-4-11(10)16/h1-8H,(H,17,18)
InChIKey
SNDXUZCJYYFCQP-UHFFFAOYSA-N
Compound name
6-(benzimidazol-1-yl)pyridine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

239.06947 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.07675 150.5
[M+Na]+ 262.05869 161.2
[M-H]- 238.06219 154.0
[M+NH4]+ 257.10329 166.1
[M+K]+ 278.03263 156.3
[M+H-H2O]+ 222.06673 141.7
[M+HCOO]- 284.06767 171.3
[M+CH3COO]- 298.08332 163.1
[M+Na-2H]- 260.04414 157.4
[M]+ 239.06892 152.2
[M]- 239.07002 152.2
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.