CID 62382414

2-(cyclohexylmethoxy)-4,6-dimethylpyridine-3-carboxylic acid

Structural Information

Molecular Formula
C15H21NO3
SMILES
CC1=CC(=NC(=C1C(=O)O)OCC2CCCCC2)C
InChI
InChI=1S/C15H21NO3/c1-10-8-11(2)16-14(13(10)15(17)18)19-9-12-6-4-3-5-7-12/h8,12H,3-7,9H2,1-2H3,(H,17,18)
InChIKey
MQQSOGRQEADYJX-UHFFFAOYSA-N
Compound name
2-(cyclohexylmethoxy)-4,6-dimethylpyridine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

263.15213 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.15941 161.7
[M+Na]+ 286.14135 166.9
[M-H]- 262.14485 165.0
[M+NH4]+ 281.18595 176.2
[M+K]+ 302.11529 164.0
[M+H-H2O]+ 246.14939 153.7
[M+HCOO]- 308.15033 178.4
[M+CH3COO]- 322.16598 195.8
[M+Na-2H]- 284.12680 162.5
[M]+ 263.15158 159.6
[M]- 263.15268 159.6
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.