CID 98789

34876-10-3

Structural Information

Molecular Formula

C₁₀H₁₄O₃

SMILES

CC(=CC(=O)OC(=O)C=C(C)C)C

InChI

InChI=1S/C10H14O3/c1-7(2)5-9(11)13-10(12)6-8(3)4/h5-6H,1-4H3

InChIKey

YQEIMEGRSTXEMX-UHFFFAOYSA-N

Compound name

3-methylbut-2-enoyl 3-methylbut-2-enoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 204
Patents: 182.0943 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]+	183.10158	142.7
[M+Na]+	205.08352	151.0
[M+NH4]+	200.12812	148.2
[M+K]+	221.05746	147.6
[M-H]-	181.08702	139.8
[M+Na-2H]-	203.06897	143.5
[M]+	182.09375	142.5
[M]-	182.09485	142.5

Literature stripe

literature stripe

Patent stripe

patents stripe