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

2
Annotation Hits: 0
References: 215
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]+	183.101576	140.4
[M+Na]+	205.083518	146.7
[M-H]-	181.087024	140.6
[M+NH4]+	200.128123	160.4
[M+K]+	221.057458	146.3
[M+H-H2O]+	165.091560	135.8
[M+HCOO]-	227.092501	160.6
[M+CH3COO]-	241.108151	182.3
[M+Na-2H]-	203.068966	140.7
[M]+	182.09375142	141.9
[M]-	182.09484858	141.9

Literature stripe

literature stripe

Patent stripe

patents stripe