CID 11005

Tetradecanoic acid

Structural Information

Molecular Formula

C₁₄H₂₈O₂

SMILES

CCCCCCCCCCCCCC(=O)O

InChI

InChI=1S/C14H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h2-13H2,1H3,(H,15,16)

InChIKey

TUNFSRHWOTWDNC-UHFFFAOYSA-N

Compound name

tetradecanoic acid

Related CIDs

2D Structure

compound 2d structure

10
Annotation Hits: 2583
References: 72580
Patents: 228.20892 Da
Monoisotopic Mass: 5.3
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]+	229.216196	161.3
[M+Na]+	251.198138	164.9
[M-H]-	227.201644	158.8
[M+NH4]+	246.242743	178.8
[M+K]+	267.172078	162.4
[M+H-H2O]+	211.206180	155.5
[M+HCOO]-	273.207121	180.7
[M+CH3COO]-	287.222771	192.5
[M+Na-2H]-	249.183586	162.3
[M]+	228.20837142	165.3
[M]-	228.20946858	165.3

Literature stripe

literature stripe

Patent stripe

patents stripe