CID 707652

6-chloro-2-methoxy-4-methylpyridine-3-carboxylic acid

Structural Information

Molecular Formula
C8H8ClNO3
SMILES
CC1=CC(=NC(=C1C(=O)O)OC)Cl
InChI
InChI=1S/C8H8ClNO3/c1-4-3-5(9)10-7(13-2)6(4)8(11)12/h3H,1-2H3,(H,11,12)
InChIKey
VPIZYXHKFQXDQK-UHFFFAOYSA-N
Compound name
6-chloro-2-methoxy-4-methylpyridine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

34
Patents

201.01927 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.026546 135.7
[M+Na]+ 224.008488 146.6
[M-H]- 200.011994 137.6
[M+NH4]+ 219.053093 154.4
[M+K]+ 239.982428 143.6
[M+H-H2O]+ 184.016530 130.9
[M+HCOO]- 246.017471 153.2
[M+CH3COO]- 260.033121 181.7
[M+Na-2H]- 221.993936 140.4
[M]+ 201.01872142 140.0
[M]- 201.01981858 140.0
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