CID 77775

Mercaptoacetaldehyde

Structural Information

Molecular Formula

SMILES

C(C=O)S

InChI

InChI=1S/C2H4OS/c3-1-2-4/h1,4H,2H2

InChIKey

FLJWVVUJGVNXMZ-UHFFFAOYSA-N

Compound name

2-sulfanylacetaldehyde

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 28
References: 1542
Patents: 75.99828 Da
Monoisotopic Mass: 0.0
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]+	77.005556	108.2
[M+Na]+	98.987498	117.5
[M-H]-	74.991004	109.5
[M+NH4]+	94.032103	133.1
[M+K]+	114.96144	117.3
[M+H-H2O]+	58.995540	104.4
[M+HCOO]-	120.99648	128.2
[M+CH3COO]-	135.01213	160.2
[M+Na-2H]-	96.972946	113.7
[M]+	75.997731	110.8
[M]-	75.998829	110.8

Literature stripe

literature stripe

Patent stripe

patents stripe