CID 296010

2,6-dimethylpyridine-3,5-dicarboxylic acid

Structural Information

Molecular Formula
C9H9NO4
SMILES
CC1=C(C=C(C(=N1)C)C(=O)O)C(=O)O
InChI
InChI=1S/C9H9NO4/c1-4-6(8(11)12)3-7(9(13)14)5(2)10-4/h3H,1-2H3,(H,11,12)(H,13,14)
InChIKey
WQFXJSOUBPGBGW-UHFFFAOYSA-N
Compound name
2,6-dimethylpyridine-3,5-dicarboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

155
Patents

195.05316 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.06044 137.6
[M+Na]+ 218.04238 146.8
[M-H]- 194.04588 138.2
[M+NH4]+ 213.08698 154.7
[M+K]+ 234.01632 145.0
[M+H-H2O]+ 178.05042 132.0
[M+HCOO]- 240.05136 157.2
[M+CH3COO]- 254.06701 180.7
[M+Na-2H]- 216.02783 140.4
[M]+ 195.05261 138.6
[M]- 195.05371 138.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe