CID 130058436

Methyl 2-chloro-6,7-dihydro-5h-cyclopenta[b]pyridine-3-carboxylate

Structural Information

Molecular Formula
C10H10ClNO2
SMILES
COC(=O)C1=C(N=C2CCCC2=C1)Cl
InChI
InChI=1S/C10H10ClNO2/c1-14-10(13)7-5-6-3-2-4-8(6)12-9(7)11/h5H,2-4H2,1H3
InChIKey
ZAQBVBUVOUOYRB-UHFFFAOYSA-N
Compound name
methyl 2-chloro-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

211.04001 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.04729 141.4
[M+Na]+ 234.02923 154.4
[M+NH4]+ 229.07383 150.4
[M+K]+ 250.00317 149.6
[M-H]- 210.03273 142.7
[M+Na-2H]- 232.01468 146.5
[M]+ 211.03946 143.8
[M]- 211.04056 143.8
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