CID 74067

1567-75-5

Structural Information

Molecular Formula

C₆H₁₀O

SMILES

CC(=O)C1(CC1)C

InChI

InChI=1S/C6H10O/c1-5(7)6(2)3-4-6/h3-4H2,1-2H3

InChIKey

OQBCJXUAQQMTRW-UHFFFAOYSA-N

Compound name

1-(1-methylcyclopropyl)ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 372
Patents: 98.073166 Da
Monoisotopic Mass: 0.8
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]+	99.080442	121.7
[M+Na]+	121.06238	134.3
[M+NH4]+	116.10699	132.5
[M+K]+	137.03632	128.6
[M-H]-	97.065890	129.8
[M+Na-2H]-	119.04783	131.2
[M]+	98.072617	127.0
[M]-	98.073715	127.0

Literature stripe

literature stripe

Patent stripe

patents stripe