CID 23246629

351427-09-3

Structural Information

Molecular Formula

C₁₅H₁₈O₂

SMILES

CC(C)(C)OC(=O)C12CC1(C2)C3=CC=CC=C3

InChI

InChI=1S/C15H18O2/c1-13(2,3)17-12(16)15-9-14(15,10-15)11-7-5-4-6-8-11/h4-8H,9-10H2,1-3H3

InChIKey

LGKRBZZKSMJCJT-UHFFFAOYSA-N

Compound name

tert-butyl 3-phenylbicyclo[1.1.0]butane-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 230.13068 Da
Monoisotopic Mass: 2.9
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]+	231.13796	142.4
[M+Na]+	253.11990	155.8
[M+NH4]+	248.16450	153.5
[M+K]+	269.09384	151.0
[M-H]-	229.12340	157.3
[M+Na-2H]-	251.10535	156.0
[M]+	230.13013	151.0
[M]-	230.13123	151.0

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.