CID 89694700

1-(3,3-dimethylcyclobutyl)ethan-1-one

Structural Information

Molecular Formula

C₈H₁₄O

SMILES

CC(=O)C1CC(C1)(C)C

InChI

InChI=1S/C8H14O/c1-6(9)7-4-8(2,3)5-7/h7H,4-5H2,1-3H3

InChIKey

JPRAZNAXUBVXFT-UHFFFAOYSA-N

Compound name

1-(3,3-dimethylcyclobutyl)ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 12
Patents: 126.10446 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]+	127.11174	127.9
[M+Na]+	149.09368	134.4
[M+NH4]+	144.13828	134.1
[M+K]+	165.06762	129.3
[M-H]-	125.09718	126.5
[M+Na-2H]-	147.07913	131.6
[M]+	126.10391	127.3
[M]-	126.10501	127.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe