CID 102550

1073-11-6

Structural Information

Molecular Formula

C₇H₁₀O₂

SMILES

CC1(CCC(=O)O1)C=C

InChI

InChI=1S/C7H10O2/c1-3-7(2)5-4-6(8)9-7/h3H,1,4-5H2,2H3

InChIKey

QESPSAHXYXIGBG-UHFFFAOYSA-N

Compound name

5-ethenyl-5-methyloxolan-2-one

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 0
References: 358
Patents: 126.06808 Da
Monoisotopic Mass: 1.0
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]+	127.07536	122.0
[M+Na]+	149.05730	130.5
[M-H]-	125.06080	126.5
[M+NH4]+	144.10190	146.8
[M+K]+	165.03124	130.7
[M+H-H2O]+	109.06534	118.6
[M+HCOO]-	171.06628	145.0
[M+CH3COO]-	185.08193	169.0
[M+Na-2H]-	147.04275	128.8
[M]+	126.06753	121.8
[M]-	126.06863	121.8

Literature stripe

literature stripe

Patent stripe

patents stripe