CID 12524130

70106-28-4

Structural Information

Molecular Formula

C₇H₁₀O

SMILES

C1CC1C2CCC2=O

InChI

InChI=1S/C7H10O/c8-7-4-3-6(7)5-1-2-5/h5-6H,1-4H2

InChIKey

YQRHORUEAGYIGR-UHFFFAOYSA-N

Compound name

2-cyclopropylcyclobutan-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 13
Patents: 110.073166 Da
Monoisotopic Mass: 1.2
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	116.0
[M+Na]+	133.06238	124.4
[M-H]-	109.06589	123.8
[M+NH4]+	128.10699	128.1
[M+K]+	149.03632	125.8
[M+H-H2O]+	93.070426	106.0
[M+HCOO]-	155.07137	138.7
[M+CH3COO]-	169.08702	176.3
[M+Na-2H]-	131.04783	122.7
[M]+	110.07262	125.3
[M]-	110.07371	125.3

Literature stripe

literature stripe

Patent stripe

patents stripe