CID 84721154

6-chloro-3-(propan-2-yl)pyridine-2-carboxylic acid

Structural Information

Molecular Formula
C9H10ClNO2
SMILES
CC(C)C1=C(N=C(C=C1)Cl)C(=O)O
InChI
InChI=1S/C9H10ClNO2/c1-5(2)6-3-4-7(10)11-8(6)9(12)13/h3-5H,1-2H3,(H,12,13)
InChIKey
LSTAYLIDBOTFDO-UHFFFAOYSA-N
Compound name
6-chloro-3-propan-2-ylpyridine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

199.04001 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.04729 137.8
[M+Na]+ 222.02923 147.2
[M-H]- 198.03273 139.3
[M+NH4]+ 217.07383 156.3
[M+K]+ 238.00317 143.8
[M+H-H2O]+ 182.03727 132.9
[M+HCOO]- 244.03821 153.8
[M+CH3COO]- 258.05386 182.4
[M+Na-2H]- 220.01468 141.5
[M]+ 199.03946 140.1
[M]- 199.04056 140.1
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