CID 12313716

(s)-oleuropeic acid

Structural Information

Molecular Formula

C₁₀H₁₆O₃

SMILES

CC(C)(C1CCC(=CC1)C(=O)O)O

InChI

InChI=1S/C10H16O3/c1-10(2,13)8-5-3-7(4-6-8)9(11)12/h3,8,13H,4-6H2,1-2H3,(H,11,12)

InChIKey

BFYWJELXORKNFO-UHFFFAOYSA-N

Compound name

4-(2-hydroxypropan-2-yl)cyclohexene-1-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 9
References: 18
Patents: 184.10994 Da
Monoisotopic Mass: 1.2
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]+	185.117216	140.5
[M+Na]+	207.099158	145.9
[M-H]-	183.102664	141.1
[M+NH4]+	202.143763	159.0
[M+K]+	223.073098	144.3
[M+H-H2O]+	167.107200	136.0
[M+HCOO]-	229.108141	157.1
[M+CH3COO]-	243.123791	177.4
[M+Na-2H]-	205.084606	144.2
[M]+	184.10939142	137.1
[M]-	184.11048858	137.1

Literature stripe

literature stripe

Patent stripe

patents stripe