CID 118553192

1-{spiro[3.3]heptan-2-yl}ethan-1-one

Structural Information

Molecular Formula

C₉H₁₄O

SMILES

CC(=O)C1CC2(C1)CCC2

InChI

InChI=1S/C9H14O/c1-7(10)8-5-9(6-8)3-2-4-9/h8H,2-6H2,1H3

InChIKey

SUKOGCNYFGIBDN-UHFFFAOYSA-N

Compound name

1-spiro[3.3]heptan-2-ylethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 138.10446 Da
Monoisotopic Mass: 1.9
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]+	139.11174	135.0
[M+Na]+	161.09368	136.3
[M+NH4]+	156.13828	137.3
[M+K]+	177.06762	133.3
[M-H]-	137.09718	131.9
[M+Na-2H]-	159.07913	136.2
[M]+	138.10391	132.1
[M]-	138.10501	132.1

Literature stripe

literature stripe

Patent stripe

patents stripe