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: 14
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]+	111.08044	136.4
[M+Na]+	133.06238	140.6
[M-H]-	109.06589	139.9
[M+NH4]+	128.10699	143.3
[M+K]+	149.03632	146.9
[M+H-H2O]+	93.070426	123.5
[M+HCOO]-	155.07137	149.9
[M+CH3COO]-	169.08702	201.2
[M+Na-2H]-	131.04783	143.1
[M]+	110.07262	160.7
[M]-	110.07371	160.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe