CID 21604849

137335-61-6

Structural Information

Molecular Formula

C₇H₁₀O

SMILES

CC(=O)C12CC(C1)C2

InChI

InChI=1S/C7H10O/c1-5(8)7-2-6(3-7)4-7/h6H,2-4H2,1H3

InChIKey

DOKIJRPCPVSRQF-UHFFFAOYSA-N

Compound name

1-(1-bicyclo[1.1.1]pentanyl)ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 15
Patents: 110.073166 Da
Monoisotopic Mass: 0.6
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]+	111.080442	136.4
[M+Na]+	133.062384	140.6
[M-H]-	109.065890	139.9
[M+NH4]+	128.106989	143.3
[M+K]+	149.036324	146.9
[M+H-H2O]+	93.070426	123.5
[M+HCOO]-	155.071367	149.9
[M+CH3COO]-	169.087017	201.2
[M+Na-2H]-	131.047832	143.1
[M]+	110.07261742	160.7
[M]-	110.07371458	160.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe