CID 67477693

2408975-23-3

Structural Information

Molecular Formula
C8H9NO3
SMILES
COCC1=CN=C(C=C1)C(=O)O
InChI
InChI=1S/C8H9NO3/c1-12-5-6-2-3-7(8(10)11)9-4-6/h2-4H,5H2,1H3,(H,10,11)
InChIKey
AVUWBVHPNYXCKO-UHFFFAOYSA-N
Compound name
5-(methoxymethyl)pyridine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

28
Patents

167.05824 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.065516 132.2
[M+Na]+ 190.047458 140.4
[M-H]- 166.050964 133.4
[M+NH4]+ 185.092063 150.7
[M+K]+ 206.021398 139.2
[M+H-H2O]+ 150.055500 125.9
[M+HCOO]- 212.056441 154.2
[M+CH3COO]- 226.072091 175.5
[M+Na-2H]- 188.032906 138.6
[M]+ 167.05769142 133.7
[M]- 167.05878858 133.7
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