CID 13792373

2-methoxy-3-methylbutanal

Structural Information

Molecular Formula

C₆H₁₂O₂

SMILES

CC(C)C(C=O)OC

InChI

InChI=1S/C6H12O2/c1-5(2)6(4-7)8-3/h4-6H,1-3H3

InChIKey

CUENZZCDJULTLN-UHFFFAOYSA-N

Compound name

2-methoxy-3-methylbutanal

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 16
Patents: 116.08373 Da
Monoisotopic Mass: 1.0
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	123.9
[M+Na]+	139.07295	133.9
[M+NH4]+	134.11755	131.7
[M+K]+	155.04689	129.6
[M-H]-	115.07645	122.9
[M+Na-2H]-	137.05840	127.3
[M]+	116.08318	124.8
[M]-	116.08428	124.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe