CID 57661847

Schembl12214310

Structural Information

Molecular Formula

C₈H₁₄O

SMILES

CC1(CCC2(C1)CO2)C

InChI

InChI=1S/C8H14O/c1-7(2)3-4-8(5-7)6-9-8/h3-6H2,1-2H3

InChIKey

MGDLGRDCPDEUJR-UHFFFAOYSA-N

Compound name

5,5-dimethyl-1-oxaspiro[2.4]heptane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 126.10446 Da
Monoisotopic Mass: 1.8
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]+	127.11174	126.0
[M+Na]+	149.09368	135.9
[M-H]-	125.09718	133.7
[M+NH4]+	144.13828	147.9
[M+K]+	165.06762	136.9
[M+H-H2O]+	109.10172	122.5
[M+HCOO]-	171.10266	147.1
[M+CH3COO]-	185.11831	173.2
[M+Na-2H]-	147.07913	134.5
[M]+	126.10391	128.2
[M]-	126.10501	128.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe