CID 77860

Butyl 3-methoxypropionate

Structural Information

Molecular Formula

C₈H₁₆O₃

SMILES

CCCCOC(=O)CCOC

InChI

InChI=1S/C8H16O3/c1-3-4-6-11-8(9)5-7-10-2/h3-7H2,1-2H3

InChIKey

RRIRSNXZGJWTQM-UHFFFAOYSA-N

Compound name

butyl 3-methoxypropanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3283
Patents: 160.10994 Da
Monoisotopic Mass: 1.2
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]+	161.117216	135.9
[M+Na]+	183.099158	142.5
[M-H]-	159.102664	136.0
[M+NH4]+	178.143763	157.0
[M+K]+	199.073098	143.1
[M+H-H2O]+	143.107200	131.0
[M+HCOO]-	205.108141	159.1
[M+CH3COO]-	219.123791	178.4
[M+Na-2H]-	181.084606	140.8
[M]+	160.10939142	141.0
[M]-	160.11048858	141.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe