CID 12524

Succinaldehyde

Structural Information

Molecular Formula

C₄H₆O₂

SMILES

C(CC=O)C=O

InChI

InChI=1S/C4H6O2/c5-3-1-2-4-6/h3-4H,1-2H2

InChIKey

PCSMJKASWLYICJ-UHFFFAOYSA-N

Compound name

butanedial

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 285
References: 33628
Patents: 86.03678 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]+	87.044056	113.8
[M+Na]+	109.02600	125.0
[M+NH4]+	104.07060	121.9
[M+K]+	124.99994	119.4
[M-H]-	85.029504	113.1
[M+Na-2H]-	107.01145	118.4
[M]+	86.036231	115.0
[M]-	86.037329	115.0

Literature stripe

literature stripe

Patent stripe

patents stripe