CID 53445903

186521-85-7

Structural Information

Molecular Formula

C₁₅H₁₉ClO

SMILES

CC(C)CC(=O)C1(CCC1)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C15H19ClO/c1-11(2)10-14(17)15(8-3-9-15)12-4-6-13(16)7-5-12/h4-7,11H,3,8-10H2,1-2H3

InChIKey

FIYKEZSYKZRWDU-UHFFFAOYSA-N

Compound name

1-[1-(4-chlorophenyl)cyclobutyl]-3-methylbutan-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 250.11244 Da
Monoisotopic Mass: 4.3
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]+	251.11972	154.8
[M+Na]+	273.10166	160.8
[M-H]-	249.10516	160.9
[M+NH4]+	268.14626	168.4
[M+K]+	289.07560	159.3
[M+H-H2O]+	233.10970	145.1
[M+HCOO]-	295.11064	169.9
[M+CH3COO]-	309.12629	197.8
[M+Na-2H]-	271.08711	157.1
[M]+	250.11189	164.8
[M]-	250.11299	164.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe