CID 115175

Tofa

Structural Information

Molecular Formula

C₁₉H₃₂O₄

SMILES

CCCCCCCCCCCCCCOC1=CC=C(O1)C(=O)O

InChI

InChI=1S/C19H32O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-22-18-15-14-17(23-18)19(20)21/h14-15H,2-13,16H2,1H3,(H,20,21)

InChIKey

CZRCFAOMWRAFIC-UHFFFAOYSA-N

Compound name

5-tetradecoxyfuran-2-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 69
References: 3128
Patents: 324.23007 Da
Monoisotopic Mass: 7.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	325.23735	184.7
[M+Na]+	347.21929	188.0
[M-H]-	323.22279	185.9
[M+NH4]+	342.26389	198.6
[M+K]+	363.19323	185.7
[M+H-H2O]+	307.22733	177.6
[M+HCOO]-	369.22827	204.2
[M+CH3COO]-	383.24392	207.8
[M+Na-2H]-	345.20474	183.8
[M]+	324.22952	192.4
[M]-	324.23062	192.4

Literature stripe

literature stripe

Patent stripe

patents stripe