CID 105647

67801-28-9

Structural Information

Molecular Formula

C₉H₁₄O₂

SMILES

CCC(=C)C(=O)OCC(=C)C

InChI

InChI=1S/C9H14O2/c1-5-8(4)9(10)11-6-7(2)3/h2,4-6H2,1,3H3

InChIKey

BARNBGGAMAZLDS-UHFFFAOYSA-N

Compound name

2-methylprop-2-enyl 2-methylidenebutanoate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 0
Patents: 154.09938 Da
Monoisotopic Mass: 2.8
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]+	155.106656	134.3
[M+Na]+	177.088598	140.7
[M-H]-	153.092104	134.5
[M+NH4]+	172.133203	155.4
[M+K]+	193.062538	140.2
[M+H-H2O]+	137.096640	129.8
[M+HCOO]-	199.097581	155.3
[M+CH3COO]-	213.113231	179.3
[M+Na-2H]-	175.074046	136.3
[M]+	154.09883142	135.6
[M]-	154.09992858	135.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.