CID 177

Acetaldehyde

Structural Information

Molecular Formula

SMILES

CC=O

InChI

InChI=1S/C2H4O/c1-2-3/h2H,1H3

InChIKey

IKHGUXGNUITLKF-UHFFFAOYSA-N

Compound name

acetaldehyde

Related CIDs

2D Structure

compound 2d structure

9
Annotation Hits: 14713
References: 51095
Patents: 44.026215 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]+	45.033491	102.4
[M+Na]+	67.015433	114.4
[M+NH4]+	62.060038	111.6
[M+K]+	82.989373	108.8
[M-H]-	43.018939	102.5
[M+Na-2H]-	65.000881	108.2
[M]+	44.025666	104.0
[M]-	44.026764	104.0

Literature stripe

literature stripe

Patent stripe

patents stripe