CID 137929077

2253641-21-1

Structural Information

Molecular Formula
C12H15NO4
SMILES
COC1(CCOCC1)C2=NC=C(C=C2)C(=O)O
InChI
InChI=1S/C12H15NO4/c1-16-12(4-6-17-7-5-12)10-3-2-9(8-13-10)11(14)15/h2-3,8H,4-7H2,1H3,(H,14,15)
InChIKey
QBCXRTXSLAWIDT-UHFFFAOYSA-N
Compound name
6-(4-methoxyoxan-4-yl)pyridine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

237.10011 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.10739 152.3
[M+Na]+ 260.08933 163.8
[M+NH4]+ 255.13393 160.5
[M+K]+ 276.06327 157.3
[M-H]- 236.09283 155.4
[M+Na-2H]- 258.07478 159.3
[M]+ 237.09956 154.8
[M]- 237.10066 154.8
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.