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 151.6
[M+Na]+ 260.08933 157.3
[M-H]- 236.09283 155.8
[M+NH4]+ 255.13393 167.2
[M+K]+ 276.06327 157.0
[M+H-H2O]+ 220.09737 144.2
[M+HCOO]- 282.09831 168.6
[M+CH3COO]- 296.11396 186.2
[M+Na-2H]- 258.07478 157.4
[M]+ 237.09956 150.1
[M]- 237.10066 150.1
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.