CID 12560765

Trimethyl pyridine-2,4,6-tricarboxylate

Structural Information

Molecular Formula
C11H11NO6
SMILES
COC(=O)C1=CC(=NC(=C1)C(=O)OC)C(=O)OC
InChI
InChI=1S/C11H11NO6/c1-16-9(13)6-4-7(10(14)17-2)12-8(5-6)11(15)18-3/h4-5H,1-3H3
InChIKey
RJRVGJDUSQEIGG-UHFFFAOYSA-N
Compound name
trimethyl pyridine-2,4,6-tricarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

253.05864 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.06592 149.7
[M+Na]+ 276.04786 158.0
[M-H]- 252.05136 152.6
[M+NH4]+ 271.09246 165.5
[M+K]+ 292.02180 158.7
[M+H-H2O]+ 236.05590 142.8
[M+HCOO]- 298.05684 171.4
[M+CH3COO]- 312.07249 192.9
[M+Na-2H]- 274.03331 152.4
[M]+ 253.05809 156.2
[M]- 253.05919 156.2
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

No patent data available for this compound.