CID 21795913

114402-11-8

Structural Information

Molecular Formula
C9H9NO2
SMILES
C1CC2=C(C1)N=CC(=C2)C(=O)O
InChI
InChI=1S/C9H9NO2/c11-9(12)7-4-6-2-1-3-8(6)10-5-7/h4-5H,1-3H2,(H,11,12)
InChIKey
KDCDSNYNWQNPRU-UHFFFAOYSA-N
Compound name
6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

36
Patents

163.06332 Da
Monoisotopic Mass

1.1
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

No literature data available for this compound.

Patent stripe

patents stripe