CID 29717

19639-01-1

Structural Information

Molecular Formula

C₈H₁₄O₂

SMILES

CC1CC(C(=O)O1)C(C)C

InChI

InChI=1S/C8H14O2/c1-5(2)7-4-6(3)10-8(7)9/h5-7H,4H2,1-3H3

InChIKey

PPHPZDDPFUWDFO-UHFFFAOYSA-N

Compound name

5-methyl-3-propan-2-yloxolan-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 142.09938 Da
Monoisotopic Mass: 2.0
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	129.4
[M+Na]+	165.08860	137.1
[M-H]-	141.09210	133.8
[M+NH4]+	160.13320	151.9
[M+K]+	181.06254	137.8
[M+H-H2O]+	125.09664	125.2
[M+HCOO]-	187.09758	150.8
[M+CH3COO]-	201.11323	175.4
[M+Na-2H]-	163.07405	132.5
[M]+	142.09883	129.7
[M]-	142.09993	129.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe