CID 12304100

Beta-costic acid

Structural Information

Molecular Formula

C₁₅H₂₂O₂

SMILES

CC12CCCC(=C)C1CC(CC2)C(=C)C(=O)O

InChI

InChI=1S/C15H22O2/c1-10-5-4-7-15(3)8-6-12(9-13(10)15)11(2)14(16)17/h12-13H,1-2,4-9H2,3H3,(H,16,17)

InChIKey

UJQGVDNQDFTTLZ-UHFFFAOYSA-N

Compound name

2-(4a-methyl-8-methylidene-1,2,3,4,5,6,7,8a-octahydronaphthalen-2-yl)prop-2-enoic acid

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 150
Patents: 234.16199 Da
Monoisotopic Mass: 4.1
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]+	235.16927	157.5
[M+Na]+	257.15121	166.4
[M+NH4]+	252.19581	166.7
[M+K]+	273.12515	158.8
[M-H]-	233.15471	158.3
[M+Na-2H]-	255.13666	160.3
[M]+	234.16144	158.8
[M]-	234.16254	158.8

Literature stripe

literature stripe

Patent stripe

patents stripe