CID 122484807

Methyl (e)-4-methoxy-3-methylbut-2-enoate

Structural Information

Molecular Formula

C₇H₁₂O₃

SMILES

C/C(=C\C(=O)OC)/COC

InChI

InChI=1S/C7H12O3/c1-6(5-9-2)4-7(8)10-3/h4H,5H2,1-3H3/b6-4+

InChIKey

ZHSTUZWFIGCXCW-GQCTYLIASA-N

Compound name

methyl (E)-4-methoxy-3-methylbut-2-enoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 144.07864 Da
Monoisotopic Mass: 0.8
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]+	145.08592	130.8
[M+Na]+	167.06786	140.3
[M+NH4]+	162.11246	137.6
[M+K]+	183.04180	136.1
[M-H]-	143.07136	129.0
[M+Na-2H]-	165.05331	133.4
[M]+	144.07809	131.3
[M]-	144.07919	131.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe