CID 8180

Undecanoic acid

Structural Information

Molecular Formula

C₁₁H₂₂O₂

SMILES

CCCCCCCCCCC(=O)O

InChI

InChI=1S/C11H22O2/c1-2-3-4-5-6-7-8-9-10-11(12)13/h2-10H2,1H3,(H,12,13)

InChIKey

ZDPHROOEEOARMN-UHFFFAOYSA-N

Compound name

undecanoic acid

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 176
References: 68041
Patents: 186.16199 Da
Monoisotopic Mass: 3.7
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]+	187.16927	146.3
[M+Na]+	209.15121	155.1
[M+NH4]+	204.19581	153.0
[M+K]+	225.12515	149.0
[M-H]-	185.15471	144.7
[M+Na-2H]-	207.13666	148.1
[M]+	186.16144	146.8
[M]-	186.16254	146.8

Literature stripe

literature stripe

Patent stripe

patents stripe