CID 10080345

1-methoxybutan-2-one

Structural Information

Molecular Formula

C₅H₁₀O₂

SMILES

CCC(=O)COC

InChI

InChI=1S/C5H10O2/c1-3-5(6)4-7-2/h3-4H2,1-2H3

InChIKey

AKXHGJCMQJQWMU-UHFFFAOYSA-N

Compound name

1-methoxybutan-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 131
Patents: 102.06808 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]+	103.07536	119.2
[M+Na]+	125.05730	129.8
[M+NH4]+	120.10190	127.3
[M+K]+	141.03124	124.8
[M-H]-	101.06080	118.5
[M+Na-2H]-	123.04275	123.3
[M]+	102.06753	120.3
[M]-	102.06863	120.3

Literature stripe

literature stripe

Patent stripe

patents stripe