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]+ 212.047286 142.8
[M+Na]+ 234.029228 153.2
[M-H]- 210.032734 145.2
[M+NH4]+ 229.073833 163.8
[M+K]+ 250.003168 148.7
[M+H-H2O]+ 194.037270 138.1
[M+HCOO]- 256.038211 158.4
[M+CH3COO]- 270.053861 183.4
[M+Na-2H]- 232.014676 145.9
[M]+ 211.03946142 144.5
[M]- 211.04055858 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.