CID 114858

Butoxyacetaldehyde

Structural Information

Molecular Formula

C₆H₁₂O₂

SMILES

CCCCOCC=O

InChI

InChI=1S/C6H12O2/c1-2-3-5-8-6-4-7/h4H,2-3,5-6H2,1H3

InChIKey

RPLPGIHCAYAYKX-UHFFFAOYSA-N

Compound name

2-butoxyacetaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 10
References: 388
Patents: 116.08373 Da
Monoisotopic Mass: 0.9
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]+	117.09101	123.3
[M+Na]+	139.07295	134.0
[M+NH4]+	134.11755	131.3
[M+K]+	155.04689	128.0
[M-H]-	115.07645	122.7
[M+Na-2H]-	137.05840	127.5
[M]+	116.08318	124.4
[M]-	116.08428	124.4

Literature stripe

literature stripe

Patent stripe

patents stripe