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

1
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

literature stripe

Patent stripe

patents stripe