CID 330426

3'-(3,4-dimethoxyphenyl)-1-oxospiro(indan-2,2'-oxirane)

Structural Information

Molecular Formula

C₁₈H₁₆O₄

SMILES

COC1=C(C=C(C=C1)C2C3(O2)CC4=CC=CC=C4C3=O)OC

InChI

InChI=1S/C18H16O4/c1-20-14-8-7-11(9-15(14)21-2)17-18(22-17)10-12-5-3-4-6-13(12)16(18)19/h3-9,17H,10H2,1-2H3

InChIKey

JCENLDBODYOIBO-UHFFFAOYSA-N

Compound name

3'-(3,4-dimethoxyphenyl)spiro[3H-indene-2,2'-oxirane]-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 296.10486 Da
Monoisotopic Mass: 2.7
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]+	297.112136	165.6
[M+Na]+	319.094078	177.8
[M-H]-	295.097584	177.5
[M+NH4]+	314.138683	180.4
[M+K]+	335.068018	175.2
[M+H-H2O]+	279.102120	159.5
[M+HCOO]-	341.103061	187.2
[M+CH3COO]-	355.118711	179.0
[M+Na-2H]-	317.079526	170.9
[M]+	296.10431142	173.5
[M]-	296.10540858	173.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe