CID 15761091

20454-77-7

Structural Information

Molecular Formula

C₉H₁₂O

SMILES

C1CC2C(=O)CC1C23CC3

InChI

InChI=1S/C9H12O/c10-8-5-6-1-2-7(8)9(6)3-4-9/h6-7H,1-5H2

InChIKey

FBUMUFCFIOFESU-UHFFFAOYSA-N

Compound name

spiro[bicyclo[2.2.1]heptane-7,1'-cyclopropane]-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 8
Patents: 136.08882 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]+	137.09610	129.4
[M+Na]+	159.07804	139.7
[M-H]-	135.08154	136.2
[M+NH4]+	154.12264	153.1
[M+K]+	175.05198	136.8
[M+H-H2O]+	119.08608	125.5
[M+HCOO]-	181.08702	150.5
[M+CH3COO]-	195.10267	143.9
[M+Na-2H]-	157.06349	134.5
[M]+	136.08827	130.4
[M]-	136.08937	130.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe