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: 1644
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]+	111.08044	109.0
[M+Na]+	133.06238	121.1
[M+NH4]+	128.10699	118.1
[M+K]+	149.03632	120.2
[M-H]-	109.06589	123.0
[M+Na-2H]-	131.04783	120.5
[M]+	110.07262	116.5
[M]-	110.07371	116.5

Literature stripe

literature stripe

Patent stripe

patents stripe