CID 10986288

Spiro[3.5]non-7-en-6-one

Structural Information

Molecular Formula

C₉H₁₂O

SMILES

C1CC2(C1)CC=CC(=O)C2

InChI

InChI=1S/C9H12O/c10-8-3-1-4-9(7-8)5-2-6-9/h1,3H,2,4-7H2

InChIKey

WBMWURFLKPUABN-UHFFFAOYSA-N

Compound name

spiro[3.5]non-6-en-8-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 57
Patents: 136.08882 Da
Monoisotopic Mass: 2.1
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	123.1
[M+Na]+	159.07804	129.0
[M-H]-	135.08154	128.8
[M+NH4]+	154.12264	140.7
[M+K]+	175.05198	130.4
[M+H-H2O]+	119.08608	113.9
[M+HCOO]-	181.08702	143.7
[M+CH3COO]-	195.10267	175.0
[M+Na-2H]-	157.06349	131.0
[M]+	136.08827	127.9
[M]-	136.08937	127.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe