CID 28375564

2-[4-(propan-2-yl)phenoxy]pyridine-4-carboxylic acid

Structural Information

Molecular Formula
C15H15NO3
SMILES
CC(C)C1=CC=C(C=C1)OC2=NC=CC(=C2)C(=O)O
InChI
InChI=1S/C15H15NO3/c1-10(2)11-3-5-13(6-4-11)19-14-9-12(15(17)18)7-8-16-14/h3-10H,1-2H3,(H,17,18)
InChIKey
LNMHCPFSEQOLIC-UHFFFAOYSA-N
Compound name
2-(4-propan-2-ylphenoxy)pyridine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

257.1052 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.11248 157.5
[M+Na]+ 280.09442 164.6
[M-H]- 256.09792 161.8
[M+NH4]+ 275.13902 172.1
[M+K]+ 296.06836 161.6
[M+H-H2O]+ 240.10246 149.4
[M+HCOO]- 302.10340 177.6
[M+CH3COO]- 316.11905 194.5
[M+Na-2H]- 278.07987 160.9
[M]+ 257.10465 158.7
[M]- 257.10575 158.7
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

No patent data available for this compound.