CID 166366

72928-35-9

Structural Information

Molecular Formula

C₁₀H₁₆O₂

SMILES

CC(=CC(=O)OCCC(=C)C)C

InChI

InChI=1S/C10H16O2/c1-8(2)5-6-12-10(11)7-9(3)4/h7H,1,5-6H2,2-4H3

InChIKey

GRTNNHGFEQUXEO-UHFFFAOYSA-N

Compound name

3-methylbut-3-enyl 3-methylbut-2-enoate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 0
Patents: 168.11504 Da
Monoisotopic Mass: 3.3
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]+	169.122316	139.2
[M+Na]+	191.104258	145.3
[M-H]-	167.107764	139.3
[M+NH4]+	186.148863	159.8
[M+K]+	207.078198	144.5
[M+H-H2O]+	151.112300	134.6
[M+HCOO]-	213.113241	159.9
[M+CH3COO]-	227.128891	181.7
[M+Na-2H]-	189.089706	140.6
[M]+	168.11449142	140.8
[M]-	168.11558858	140.8

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.