CID 66652503

1-cyclopropylbut-3-en-2-one

Structural Information

Molecular Formula

C₇H₁₀O

SMILES

C=CC(=O)CC1CC1

InChI

InChI=1S/C7H10O/c1-2-7(8)5-6-3-4-6/h2,6H,1,3-5H2

InChIKey

HQLSVZFENKJQEZ-UHFFFAOYSA-N

Compound name

1-cyclopropylbut-3-en-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 16
Patents: 110.073166 Da
Monoisotopic Mass: 1.6
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	123.2
[M+Na]+	133.06238	135.4
[M+NH4]+	128.10699	132.3
[M+K]+	149.03632	131.1
[M-H]-	109.06589	130.9
[M+Na-2H]-	131.04783	130.9
[M]+	110.07262	128.0
[M]-	110.07371	128.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe