CID 28375533

1019353-19-5

Structural Information

Molecular Formula
C12H15NO3
SMILES
C1CCC(CC1)OC2=NC=CC(=C2)C(=O)O
InChI
InChI=1S/C12H15NO3/c14-12(15)9-6-7-13-11(8-9)16-10-4-2-1-3-5-10/h6-8,10H,1-5H2,(H,14,15)
InChIKey
FSXGMVHSSOAENQ-UHFFFAOYSA-N
Compound name
2-cyclohexyloxypyridine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

221.1052 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.11248 148.5
[M+Na]+ 244.09442 153.2
[M-H]- 220.09792 151.6
[M+NH4]+ 239.13902 164.1
[M+K]+ 260.06836 150.9
[M+H-H2O]+ 204.10246 140.7
[M+HCOO]- 266.10340 166.2
[M+CH3COO]- 280.11905 184.4
[M+Na-2H]- 242.07987 152.3
[M]+ 221.10465 144.6
[M]- 221.10575 144.6
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.