CID 15521501

591768-76-2

Structural Information

Molecular Formula
C9H9NO2
SMILES
C1C(CC2=C1C=CC=N2)C(=O)O
InChI
InChI=1S/C9H9NO2/c11-9(12)7-4-6-2-1-3-10-8(6)5-7/h1-3,7H,4-5H2,(H,11,12)
InChIKey
SXYQKNZFBKJRMY-UHFFFAOYSA-N
Compound name
6,7-dihydro-5H-cyclopenta[b]pyridine-6-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

33
Patents

163.06332 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.07060 132.1
[M+Na]+ 186.05254 140.3
[M-H]- 162.05604 134.1
[M+NH4]+ 181.09714 153.6
[M+K]+ 202.02648 137.9
[M+H-H2O]+ 146.06058 126.4
[M+HCOO]- 208.06152 152.8
[M+CH3COO]- 222.07717 174.2
[M+Na-2H]- 184.03799 137.7
[M]+ 163.06277 130.7
[M]- 163.06387 130.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe