CID 60154000

1340216-93-4

Structural Information

Molecular Formula

C₉H₁₆O

SMILES

CC1(CCCC2(C1)CO2)C

InChI

InChI=1S/C9H16O/c1-8(2)4-3-5-9(6-8)7-10-9/h3-7H2,1-2H3

InChIKey

YVQUDFCQQQXWBY-UHFFFAOYSA-N

Compound name

5,5-dimethyl-1-oxaspiro[2.5]octane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 17
Patents: 140.12012 Da
Monoisotopic Mass: 2.3
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]+	141.12740	131.9
[M+Na]+	163.10934	140.4
[M-H]-	139.11284	139.3
[M+NH4]+	158.15394	151.5
[M+K]+	179.08328	142.0
[M+H-H2O]+	123.11738	127.4
[M+HCOO]-	185.11832	150.9
[M+CH3COO]-	199.13397	176.3
[M+Na-2H]-	161.09479	141.0
[M]+	140.11957	132.4
[M]-	140.12067	132.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe