CID 5357209

2-butenoic acid, 3-methoxy-, methyl ester, (e)-

Structural Information

Molecular Formula

C₆H₁₀O₃

SMILES

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

InChI

InChI=1S/C6H10O3/c1-5(8-2)4-6(7)9-3/h4H,1-3H3/b5-4+

InChIKey

RJSHZZLJYZOHRU-SNAWJCMRSA-N

Compound name

methyl (E)-3-methoxybut-2-enoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 37
Patents: 130.06299 Da
Monoisotopic Mass: 0.7
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]+	131.07027	125.2
[M+Na]+	153.05221	132.7
[M-H]-	129.05571	125.8
[M+NH4]+	148.09681	147.4
[M+K]+	169.02615	133.7
[M+H-H2O]+	113.06025	120.9
[M+HCOO]-	175.06119	148.2
[M+CH3COO]-	189.07684	171.6
[M+Na-2H]-	151.03766	129.9
[M]+	130.06244	128.0
[M]-	130.06354	128.0

Literature stripe

literature stripe

Patent stripe

patents stripe