CID 138040859

2168959-86-0

Structural Information

Molecular Formula

C₉H₁₄O₂

SMILES

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

InChI

InChI=1S/C9H14O2/c10-8(11)4-7-5-9(6-7)2-1-3-9/h7H,1-6H2,(H,10,11)

InChIKey

WLWZYGGDLMOIPM-UHFFFAOYSA-N

Compound name

2-spiro[3.3]heptan-2-ylacetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 154.09938 Da
Monoisotopic Mass: 2.4
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]+	155.10666	139.8
[M+Na]+	177.08860	140.2
[M+NH4]+	172.13320	141.2
[M+K]+	193.06254	137.7
[M-H]-	153.09210	135.7
[M+Na-2H]-	175.07405	139.9
[M]+	154.09883	136.4
[M]-	154.09993	136.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe