CID 5156747

2-methyl-3,4,6-pyridinetricarboxylic acid

Structural Information

Molecular Formula
C9H7NO6
SMILES
CC1=C(C(=CC(=N1)C(=O)O)C(=O)O)C(=O)O
InChI
InChI=1S/C9H7NO6/c1-3-6(9(15)16)4(7(11)12)2-5(10-3)8(13)14/h2H,1H3,(H,11,12)(H,13,14)(H,15,16)
InChIKey
JCWMQJBDIZVAOW-UHFFFAOYSA-N
Compound name
6-methylpyridine-2,4,5-tricarboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

29
Patents

225.02734 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.03462 141.8
[M+Na]+ 248.01656 150.2
[M-H]- 224.02006 141.0
[M+NH4]+ 243.06116 156.5
[M+K]+ 263.99050 148.8
[M+H-H2O]+ 208.02460 136.0
[M+HCOO]- 270.02554 159.4
[M+CH3COO]- 284.04119 183.2
[M+Na-2H]- 246.00201 143.1
[M]+ 225.02679 142.5
[M]- 225.02789 142.5
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