CID 12542141

Spiro[3.3]heptan-1-one

Structural Information

Molecular Formula

C₇H₁₀O

SMILES

C1CC2(C1)CCC2=O

InChI

InChI=1S/C7H10O/c8-6-2-5-7(6)3-1-4-7/h1-5H2

InChIKey

XJYDBQLYSOZWCC-UHFFFAOYSA-N

Compound name

spiro[3.3]heptan-3-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 58
Patents: 110.073166 Da
Monoisotopic Mass: 0.9
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	124.7
[M+Na]+	133.06238	126.8
[M+NH4]+	128.10699	127.5
[M+K]+	149.03632	123.6
[M-H]-	109.06589	121.9
[M+Na-2H]-	131.04783	126.9
[M]+	110.07262	122.1
[M]-	110.07371	122.1

Literature stripe

literature stripe

Patent stripe

patents stripe