CID 130591097

2-cyclopropyl-2-ethoxyacetaldehyde

Structural Information

Molecular Formula

C₇H₁₂O₂

SMILES

CCOC(C=O)C1CC1

InChI

InChI=1S/C7H12O2/c1-2-9-7(5-8)6-3-4-6/h5-7H,2-4H2,1H3

InChIKey

VALSVGVMNBYXFO-UHFFFAOYSA-N

Compound name

2-cyclopropyl-2-ethoxyacetaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 128.08372 Da
Monoisotopic Mass: 0.8
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]+	129.09100	127.1
[M+Na]+	151.07294	138.8
[M+NH4]+	146.11754	135.8
[M+K]+	167.04688	135.1
[M-H]-	127.07644	134.5
[M+Na-2H]-	149.05839	134.4
[M]+	128.08317	131.8
[M]-	128.08427	131.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.