CID 70721

Dicyclopropyl ketone

Structural Information

Molecular Formula

C₇H₁₀O

SMILES

C1CC1C(=O)C2CC2

InChI

InChI=1S/C7H10O/c8-7(5-1-2-5)6-3-4-6/h5-6H,1-4H2

InChIKey

BIPUHAHGLJKIPK-UHFFFAOYSA-N

Compound name

dicyclopropylmethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 13
References: 2161
Patents: 110.073166 Da
Monoisotopic Mass: 0.9
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]+	111.080442	132.4
[M+Na]+	133.062384	139.9
[M-H]-	109.065890	139.8
[M+NH4]+	128.106989	143.3
[M+K]+	149.036324	139.3
[M+H-H2O]+	93.070426	126.6
[M+HCOO]-	155.071367	152.9
[M+CH3COO]-	169.087017	183.9
[M+Na-2H]-	131.047832	136.5
[M]+	110.07261742	135.1
[M]-	110.07371458	135.1

Literature stripe

literature stripe

Patent stripe

patents stripe