CID 94303

Mansonone e

Structural Information

Molecular Formula

C₁₅H₁₄O₃

SMILES

CC1COC2=C(C(=O)C(=O)C3=C(C=CC1=C32)C)C

InChI

InChI=1S/C15H14O3/c1-7-4-5-10-8(2)6-18-15-9(3)13(16)14(17)11(7)12(10)15/h4-5,8H,6H2,1-3H3

InChIKey

SYWTYRLIJCHSLJ-UHFFFAOYSA-N

Compound name

4,8,12-trimethyl-2-oxatricyclo[7.3.1.05,13]trideca-1(12),5(13),6,8-tetraene-10,11-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 11
References: 25
Patents: 242.0943 Da
Monoisotopic Mass: 2.3
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]+	243.10158	150.9
[M+Na]+	265.08352	161.4
[M-H]-	241.08702	157.1
[M+NH4]+	260.12812	170.4
[M+K]+	281.05746	159.0
[M+H-H2O]+	225.09156	144.8
[M+HCOO]-	287.09250	168.7
[M+CH3COO]-	301.10815	198.7
[M+Na-2H]-	263.06897	156.5
[M]+	242.09375	153.8
[M]-	242.09485	153.8

Literature stripe

literature stripe

Patent stripe

patents stripe