CID 59637240

4,5-dimethylpyridine-2-carboxylic acid

Structural Information

Molecular Formula
C8H9NO2
SMILES
CC1=CC(=NC=C1C)C(=O)O
InChI
InChI=1S/C8H9NO2/c1-5-3-7(8(10)11)9-4-6(5)2/h3-4H,1-2H3,(H,10,11)
InChIKey
BWRKTZNPOWQFRQ-UHFFFAOYSA-N
Compound name
4,5-dimethylpyridine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

151.06332 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.070596 128.5
[M+Na]+ 174.052538 137.8
[M-H]- 150.056044 130.2
[M+NH4]+ 169.097143 148.1
[M+K]+ 190.026478 136.1
[M+H-H2O]+ 134.060580 122.8
[M+HCOO]- 196.061521 150.3
[M+CH3COO]- 210.077171 174.6
[M+Na-2H]- 172.037986 134.3
[M]+ 151.06277142 129.0
[M]- 151.06386858 129.0
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