CID 6455154

65540-54-7

Structural Information

Molecular Formula

C₁₆H₁₈O₂

SMILES

CCOC(=O)C1C(C12C=CC3=CC=CC=C23)(C)C

InChI

InChI=1S/C16H18O2/c1-4-18-14(17)13-15(2,3)16(13)10-9-11-7-5-6-8-12(11)16/h5-10,13H,4H2,1-3H3

InChIKey

ILSQQIOQNIKPAG-UHFFFAOYSA-N

Compound name

ethyl 2,2-dimethylspiro[cyclopropane-3,1'-indene]-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 242.13068 Da
Monoisotopic Mass: 3.7
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]+	243.137956	156.6
[M+Na]+	265.119898	168.3
[M-H]-	241.123404	164.8
[M+NH4]+	260.164503	176.8
[M+K]+	281.093838	165.1
[M+H-H2O]+	225.127940	152.3
[M+HCOO]-	287.128881	178.3
[M+CH3COO]-	301.144531	196.2
[M+Na-2H]-	263.105346	162.1
[M]+	242.13013142	163.3
[M]-	242.13122858	163.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe