CID 205574

Ethanol, 2-phenoxy-, nicotinate, hydrochloride

Structural Information

Molecular Formula
C14H13NO3
SMILES
C1=CC=C(C=C1)OCCOC(=O)C2=CN=CC=C2
InChI
InChI=1S/C14H13NO3/c16-14(12-5-4-8-15-11-12)18-10-9-17-13-6-2-1-3-7-13/h1-8,11H,9-10H2
InChIKey
UUKRLHOSQNZWEN-UHFFFAOYSA-N
Compound name
2-phenoxyethyl pyridine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

243.08954 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.09682 154.2
[M+Na]+ 266.07876 168.3
[M+NH4]+ 261.12336 161.9
[M+K]+ 282.05270 161.0
[M-H]- 242.08226 157.5
[M+Na-2H]- 264.06421 163.7
[M]+ 243.08899 157.1
[M]- 243.09009 157.1
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

patents stripe