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]+ 200.047286 137.8
[M+Na]+ 222.029228 147.2
[M-H]- 198.032734 139.3
[M+NH4]+ 217.073833 156.3
[M+K]+ 238.003168 143.8
[M+H-H2O]+ 182.037270 132.9
[M+HCOO]- 244.038211 153.8
[M+CH3COO]- 258.053861 182.4
[M+Na-2H]- 220.014676 141.5
[M]+ 199.03946142 140.1
[M]- 199.04055858 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