CID 156203

Peperinic acid

Structural Information

Molecular Formula

C₁₀H₁₄O₃

SMILES

CC1CCC2=C(C(=O)OC2(C1)O)C

InChI

InChI=1S/C10H14O3/c1-6-3-4-8-7(2)9(11)13-10(8,12)5-6/h6,12H,3-5H2,1-2H3

InChIKey

LBNWZGLSMCTAQB-UHFFFAOYSA-N

Compound name

7a-hydroxy-3,6-dimethyl-4,5,6,7-tetrahydro-1-benzofuran-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 26
Patents: 182.0943 Da
Monoisotopic Mass: 1.1
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]+	183.10158	137.4
[M+Na]+	205.08352	148.1
[M+NH4]+	200.12812	147.4
[M+K]+	221.05746	143.2
[M-H]-	181.08702	139.6
[M+Na-2H]-	203.06897	141.2
[M]+	182.09375	139.5
[M]-	182.09485	139.5

Literature stripe

literature stripe

Patent stripe

patents stripe