CID 14433053

3b-hydroxycinnamolide

Structural Information

Molecular Formula

C₁₅H₂₂O₃

SMILES

CC1(C(CCC2(C1CC=C3C2COC3=O)C)O)C

InChI

InChI=1S/C15H22O3/c1-14(2)11-5-4-9-10(8-18-13(9)17)15(11,3)7-6-12(14)16/h4,10-12,16H,5-8H2,1-3H3

InChIKey

BXRHNOVSIVSFJG-UHFFFAOYSA-N

Compound name

7-hydroxy-6,6,9a-trimethyl-5,5a,7,8,9,9b-hexahydro-1H-benzo[e][2]benzofuran-3-one

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 2
References: 0
Patents: 250.15689 Da
Monoisotopic Mass: 2.5
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]+	251.164166	156.2
[M+Na]+	273.146108	164.3
[M-H]-	249.149614	160.6
[M+NH4]+	268.190713	179.8
[M+K]+	289.120048	161.6
[M+H-H2O]+	233.154150	152.2
[M+HCOO]-	295.155091	170.1
[M+CH3COO]-	309.170741	193.1
[M+Na-2H]-	271.131556	160.1
[M]+	250.15634142	154.0
[M]-	250.15743858	154.0

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.