CID 138511

5455-94-7

Structural Information

Molecular Formula

C₈H₁₄O₂

SMILES

CC1(CC(=O)C(O1)(C)C)C

InChI

InChI=1S/C8H14O2/c1-7(2)5-6(9)8(3,4)10-7/h5H2,1-4H3

InChIKey

HWFLEGUPVIFSJN-UHFFFAOYSA-N

Compound name

2,2,5,5-tetramethyloxolan-3-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 249
Patents: 142.09938 Da
Monoisotopic Mass: 0.8
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]+	143.10666	123.6
[M+Na]+	165.08860	133.4
[M-H]-	141.09210	128.7
[M+NH4]+	160.13320	150.2
[M+K]+	181.06254	134.1
[M+H-H2O]+	125.09664	121.4
[M+HCOO]-	187.09758	146.1
[M+CH3COO]-	201.11323	173.9
[M+Na-2H]-	163.07405	130.9
[M]+	142.09883	125.3
[M]-	142.09993	125.3

Literature stripe

literature stripe

Patent stripe

patents stripe