CID 11228821

Methyl 3-methoxybutanoate

Structural Information

Molecular Formula

C₆H₁₂O₃

SMILES

CC(CC(=O)OC)OC

InChI

InChI=1S/C6H12O3/c1-5(8-2)4-6(7)9-3/h5H,4H2,1-3H3

InChIKey

NRMQYDNCUDPVAI-UHFFFAOYSA-N

Compound name

methyl 3-methoxybutanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 74
Patents: 132.07864 Da
Monoisotopic Mass: 0.3
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]+	133.08592	126.7
[M+Na]+	155.06786	133.9
[M-H]-	131.07136	127.2
[M+NH4]+	150.11246	148.8
[M+K]+	171.04180	135.4
[M+H-H2O]+	115.07590	122.2
[M+HCOO]-	177.07684	149.5
[M+CH3COO]-	191.09249	173.2
[M+Na-2H]-	153.05331	131.4
[M]+	132.07809	130.3
[M]-	132.07919	130.3

Literature stripe

literature stripe

Patent stripe

patents stripe