CID 13185

Tetradecanedioic acid

Structural Information

Molecular Formula

C₁₄H₂₆O₄

SMILES

C(CCCCCCC(=O)O)CCCCCC(=O)O

InChI

InChI=1S/C14H26O4/c15-13(16)11-9-7-5-3-1-2-4-6-8-10-12-14(17)18/h1-12H2,(H,15,16)(H,17,18)

InChIKey

HQHCYKULIHKCEB-UHFFFAOYSA-N

Compound name

tetradecanedioic acid

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 8
References: 43487
Patents: 258.1831 Da
Monoisotopic Mass: 4.3
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]+	259.19038	166.2
[M+Na]+	281.17232	169.2
[M-H]-	257.17582	162.2
[M+NH4]+	276.21692	181.4
[M+K]+	297.14626	166.7
[M+H-H2O]+	241.18036	160.2
[M+HCOO]-	303.18130	183.6
[M+CH3COO]-	317.19695	193.8
[M+Na-2H]-	279.15777	165.4
[M]+	258.18255	169.7
[M]-	258.18365	169.7

Literature stripe

literature stripe

Patent stripe

patents stripe