CID 11062389

Ethyl 2-methyl-2,3-butadienoate

Structural Information

Molecular Formula

C₇H₁₀O₂

SMILES

CCOC(=O)C(=C=C)C

InChI

InChI=1S/C7H10O2/c1-4-6(3)7(8)9-5-2/h1,5H2,2-3H3

InChIKey

QFTBEYHBIFWGHJ-UHFFFAOYSA-N

Compound name

None

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 8
Patents: 126.06808 Da
Monoisotopic Mass: 1.0
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]+	127.07536	127.3
[M+Na]+	149.05730	137.3
[M+NH4]+	144.10190	134.4
[M+K]+	165.03124	132.4
[M-H]-	125.06080	125.8
[M+Na-2H]-	147.04275	130.2
[M]+	126.06753	127.9
[M]-	126.06863	127.9

Literature stripe

literature stripe

Patent stripe

patents stripe