CID 977

Oxygen

Structural Information

Molecular Formula

O₂

SMILES

O=O

InChI

InChI=1S/O2/c1-2

InChIKey

MYMOFIZGZYHOMD-UHFFFAOYSA-N

Compound name

molecular oxygen

Related CIDs

2D Structure

compound 2d structure

10
Annotation Hits: 185422
References: 135729
Patents: 31.98983 Da
Monoisotopic Mass: -1.1
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]+	32.997106	94.5
[M+Na]+	54.979048	104.4
[M-H]-	30.982554	95.9
[M+NH4]+	50.023653	120.5
[M+K]+	70.952988	106.3
[M+H-H2O]+	14.987090	91.4
[M+HCOO]-	76.988031	121.0
[M+CH3COO]-	91.003681	152.7
[M+Na-2H]-	52.964496	105.1
[M]+	31.989281	95.9
[M]-	31.990379	95.9

Literature stripe

literature stripe

Patent stripe

patents stripe