CID 16206158

96619-87-3

Structural Information

Molecular Formula

C₈H₁₄O₄

SMILES

CCCC(=O)OC(C)C(=O)OC

InChI

InChI=1S/C8H14O4/c1-4-5-7(9)12-6(2)8(10)11-3/h6H,4-5H2,1-3H3

InChIKey

YKJAHVZTCFGXAH-UHFFFAOYSA-N

Compound name

(1-methoxy-1-oxopropan-2-yl) butanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 174.0892 Da
Monoisotopic Mass: 1.3
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]+	175.096476	137.4
[M+Na]+	197.078418	143.8
[M-H]-	173.081924	137.7
[M+NH4]+	192.123023	157.7
[M+K]+	213.052358	145.2
[M+H-H2O]+	157.086460	132.5
[M+HCOO]-	219.087401	159.0
[M+CH3COO]-	233.103051	180.6
[M+Na-2H]-	195.063866	139.8
[M]+	174.08865142	141.8
[M]-	174.08974858	141.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe