CID 6326

Acetylene

Structural Information

Molecular Formula

C₂H₂

SMILES

C#C

InChI

InChI=1S/C2H2/c1-2/h1-2H

InChIKey

HSFWRNGVRCDJHI-UHFFFAOYSA-N

Compound name

acetylene

Related CIDs

2D Structure

compound 2d structure

10
Annotation Hits: 2349
References: 133862
Patents: 26.01565 Da
Monoisotopic Mass: 0.4
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]+	27.022926	96.7
[M+Na]+	49.004868	107.9
[M-H]-	25.008374	97.4
[M+NH4]+	44.049473	120.3
[M+K]+	64.978808	107.5
[M+H-H2O]+	9.012910	87.7
[M+HCOO]-	71.013851	116.3
[M+CH3COO]-	85.029501	165.9
[M+Na-2H]-	46.990316	105.7
[M]+	26.015101	91.2
[M]-	26.016199	91.2

Literature stripe

literature stripe

Patent stripe

patents stripe