CID 169232

Alpha-emgbl

Structural Information

Molecular Formula

C₇H₁₂O₂

SMILES

CCC1(CCOC1=O)C

InChI

InChI=1S/C7H12O2/c1-3-7(2)4-5-9-6(7)8/h3-5H2,1-2H3

InChIKey

DRTXQTMTWPIHLI-UHFFFAOYSA-N

Compound name

3-ethyl-3-methyloxolan-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 9
References: 574
Patents: 128.08372 Da
Monoisotopic Mass: 1.5
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]+	129.09100	123.4
[M+Na]+	151.07294	131.6
[M-H]-	127.07644	127.8
[M+NH4]+	146.11754	148.1
[M+K]+	167.04688	132.4
[M+H-H2O]+	111.08098	119.9
[M+HCOO]-	173.08192	146.1
[M+CH3COO]-	187.09757	169.9
[M+Na-2H]-	149.05839	130.2
[M]+	128.08317	123.8
[M]-	128.08427	123.8

Literature stripe

literature stripe

Patent stripe

patents stripe