CID 118104

64026-45-5

Structural Information

Molecular Formula

C₆H₁₀O₂

SMILES

CC1CC(=O)C(O1)C

InChI

InChI=1S/C6H10O2/c1-4-3-6(7)5(2)8-4/h4-5H,3H2,1-2H3

InChIKey

PAZYIUKTJFPTKT-UHFFFAOYSA-N

Compound name

2,5-dimethyloxolan-3-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 61
Patents: 114.06808 Da
Monoisotopic Mass: 0.5
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]+	115.07536	119.5
[M+Na]+	137.05730	128.3
[M-H]-	113.06080	124.2
[M+NH4]+	132.10190	143.1
[M+K]+	153.03124	129.1
[M+H-H2O]+	97.065340	115.6
[M+HCOO]-	159.06628	142.6
[M+CH3COO]-	173.08193	168.4
[M+Na-2H]-	135.04275	125.0
[M]+	114.06753	119.7
[M]-	114.06863	119.7

Literature stripe

literature stripe

Patent stripe

patents stripe