CID 10998311

5-(methoxymethyl)pyridine-2,3-dicarboxylic acid

Structural Information

Molecular Formula
C9H9NO5
SMILES
COCC1=CC(=C(N=C1)C(=O)O)C(=O)O
InChI
InChI=1S/C9H9NO5/c1-15-4-5-2-6(8(11)12)7(9(13)14)10-3-5/h2-3H,4H2,1H3,(H,11,12)(H,13,14)
InChIKey
CJSGMWRJOBFTCK-UHFFFAOYSA-N
Compound name
5-(methoxymethyl)pyridine-2,3-dicarboxylic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

201
Patents

211.04807 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.055346 141.0
[M+Na]+ 234.037288 149.1
[M-H]- 210.040794 141.1
[M+NH4]+ 229.081893 157.0
[M+K]+ 250.011228 147.8
[M+H-H2O]+ 194.045330 134.7
[M+HCOO]- 256.046271 160.7
[M+CH3COO]- 270.061921 181.7
[M+Na-2H]- 232.022736 144.5
[M]+ 211.04752142 143.0
[M]- 211.04861858 143.0
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