CID 44151886

Anthra(2,3-b)oxirene-3,8-dione, 1a,2,2a,8a,9,9a-hexahydro-1a-methyl-

Structural Information

Molecular Formula

C₁₅H₁₄O₃

SMILES

CC12CC3C(CC1O2)C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C15H14O3/c1-15-7-11-10(6-12(15)18-15)13(16)8-4-2-3-5-9(8)14(11)17/h2-5,10-12H,6-7H2,1H3

InChIKey

MFABPXKHKBXOAA-UHFFFAOYSA-N

Compound name

12-methyl-13-oxatetracyclo[8.5.0.03,8.012,14]pentadeca-3,5,7-triene-2,9-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 242.0943 Da
Monoisotopic Mass: 1.6
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]+	243.101576	154.8
[M+Na]+	265.083518	166.1
[M-H]-	241.087024	162.3
[M+NH4]+	260.128123	171.3
[M+K]+	281.057458	163.1
[M+H-H2O]+	225.091560	148.3
[M+HCOO]-	287.092501	170.0
[M+CH3COO]-	301.108151	167.2
[M+Na-2H]-	263.068966	162.4
[M]+	242.09375142	157.6
[M]-	242.09484858	157.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.