CID 10375910

156459-20-0

Structural Information

Molecular Formula
C9H11NO5
SMILES
COC(C1=CC=C(C(=O)N1)C(=O)O)OC
InChI
InChI=1S/C9H11NO5/c1-14-9(15-2)6-4-3-5(8(12)13)7(11)10-6/h3-4,9H,1-2H3,(H,10,11)(H,12,13)
InChIKey
CZJSQHBIIDJZBA-UHFFFAOYSA-N
Compound name
6-(dimethoxymethyl)-2-oxo-1H-pyridine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

213.06372 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.070996 141.4
[M+Na]+ 236.052938 149.5
[M-H]- 212.056444 141.5
[M+NH4]+ 231.097543 157.4
[M+K]+ 252.026878 148.2
[M+H-H2O]+ 196.060980 135.1
[M+HCOO]- 258.061921 161.1
[M+CH3COO]- 272.077571 181.7
[M+Na-2H]- 234.038386 144.9
[M]+ 213.06317142 143.4
[M]- 213.06426858 143.4
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