CID 145654582

2919947-67-2

Structural Information

Molecular Formula
C9H11NO4
SMILES
COC(C1=C(C=NC=C1)C(=O)O)OC
InChI
InChI=1S/C9H11NO4/c1-13-9(14-2)6-3-4-10-5-7(6)8(11)12/h3-5,9H,1-2H3,(H,11,12)
InChIKey
IUBQWJAQINJKKU-UHFFFAOYSA-N
Compound name
4-(dimethoxymethyl)pyridine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

197.0688 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.076076 139.6
[M+Na]+ 220.058018 147.1
[M-H]- 196.061524 140.8
[M+NH4]+ 215.102623 156.8
[M+K]+ 236.031958 146.7
[M+H-H2O]+ 180.066060 133.0
[M+HCOO]- 242.067001 160.5
[M+CH3COO]- 256.082651 181.5
[M+Na-2H]- 218.043466 144.3
[M]+ 197.06825142 142.4
[M]- 197.06934858 142.4
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

No patent data available for this compound.