CID 641429

13168-99-5

Structural Information

Molecular Formula

C₆H₁₀O₃

SMILES

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

InChI

InChI=1S/C6H10O3/c1-8-5-3-4-6(7)9-2/h3-4H,5H2,1-2H3/b4-3+

InChIKey

JMXSTMJTPSFRNI-ONEGZZNKSA-N

Compound name

methyl (E)-4-methoxybut-2-enoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 138
Patents: 130.06299 Da
Monoisotopic Mass: 0.2
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]+	131.07027	126.3
[M+Na]+	153.05221	136.3
[M+NH4]+	148.09681	133.3
[M+K]+	169.02615	131.5
[M-H]-	129.05571	124.7
[M+Na-2H]-	151.03766	129.5
[M]+	130.06244	126.9
[M]-	130.06354	126.9

Literature stripe

literature stripe

Patent stripe

patents stripe