CID 53426669

Schembl11053913

Structural Information

Molecular Formula

C₉H₁₆O₂

SMILES

CCC=C(C)C1OCC(O1)C

InChI

InChI=1S/C9H16O2/c1-4-5-7(2)9-10-6-8(3)11-9/h5,8-9H,4,6H2,1-3H3

InChIKey

UAGVSTISKXJXEM-UHFFFAOYSA-N

Compound name

4-methyl-2-pent-2-en-2-yl-1,3-dioxolane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 17
Patents: 156.11504 Da
Monoisotopic Mass: 2.2
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]+	157.122316	136.0
[M+Na]+	179.104258	142.4
[M-H]-	155.107764	140.4
[M+NH4]+	174.148863	156.3
[M+K]+	195.078198	143.8
[M+H-H2O]+	139.112300	131.5
[M+HCOO]-	201.113241	156.1
[M+CH3COO]-	215.128891	176.7
[M+Na-2H]-	177.089706	140.0
[M]+	156.11449142	136.8
[M]-	156.11558858	136.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe