CID 82394473

3-chloro-1-methyl-5h,6h,7h-cyclopenta[c]pyridine-4-carboxylic acid

Structural Information

Molecular Formula
C10H10ClNO2
SMILES
CC1=C2CCCC2=C(C(=N1)Cl)C(=O)O
InChI
InChI=1S/C10H10ClNO2/c1-5-6-3-2-4-7(6)8(10(13)14)9(11)12-5/h2-4H2,1H3,(H,13,14)
InChIKey
UFBZTVJBWAYAIO-UHFFFAOYSA-N
Compound name
3-chloro-1-methyl-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

211.04001 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.04729 142.8
[M+Na]+ 234.02923 153.2
[M-H]- 210.03273 145.2
[M+NH4]+ 229.07383 163.8
[M+K]+ 250.00317 148.7
[M+H-H2O]+ 194.03727 138.1
[M+HCOO]- 256.03821 158.4
[M+CH3COO]- 270.05386 183.4
[M+Na-2H]- 232.01468 145.9
[M]+ 211.03946 144.5
[M]- 211.04056 144.5
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.