CID 537026

56009-32-6

Structural Information

Molecular Formula

C₇H₁₂O₃

SMILES

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

InChI

InChI=1S/C7H12O3/c1-5(2)6(9-3)7(8)10-4/h1-4H3

InChIKey

ZGKHICOQQQVAHJ-UHFFFAOYSA-N

Compound name

methyl 2-methoxy-3-methylbut-2-enoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 144.07864 Da
Monoisotopic Mass: 1.7
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]+	145.08592	129.8
[M+Na]+	167.06786	136.7
[M-H]-	143.07136	130.3
[M+NH4]+	162.11246	151.4
[M+K]+	183.04180	137.9
[M+H-H2O]+	127.07590	125.4
[M+HCOO]-	189.07684	151.5
[M+CH3COO]-	203.09249	175.6
[M+Na-2H]-	165.05331	132.8
[M]+	144.07809	132.4
[M]-	144.07919	132.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe