CID 54974551

5-(2,3-dihydro-1-benzofuran-5-yl)pyridine-3-carboxylic acid

Structural Information

Molecular Formula
C14H11NO3
SMILES
C1COC2=C1C=C(C=C2)C3=CC(=CN=C3)C(=O)O
InChI
InChI=1S/C14H11NO3/c16-14(17)12-6-11(7-15-8-12)9-1-2-13-10(5-9)3-4-18-13/h1-2,5-8H,3-4H2,(H,16,17)
InChIKey
MWENGLGTBLDDKQ-UHFFFAOYSA-N
Compound name
5-(2,3-dihydro-1-benzofuran-5-yl)pyridine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

241.0739 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.08118 151.0
[M+Na]+ 264.06312 159.3
[M-H]- 240.06662 157.0
[M+NH4]+ 259.10772 167.7
[M+K]+ 280.03706 156.6
[M+H-H2O]+ 224.07116 143.9
[M+HCOO]- 286.07210 170.6
[M+CH3COO]- 300.08775 163.6
[M+Na-2H]- 262.04857 156.1
[M]+ 241.07335 151.3
[M]- 241.07445 151.3
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.