CID 159832

Monooxygen

Structural Information

Molecular Formula
O
SMILES
[O]
InChI
InChI=1S/O
InChIKey
QVGXLLKOCUKJST-UHFFFAOYSA-N
Compound name
oxygen
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

4476
References

109
Patents

15.994915 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 17.002191 95.2
[M+Na]+ 38.984133 104.1
[M-H]- 14.987639 96.1
[M+NH4]+ 34.028738 121.8
[M+K]+ 54.958073 106.2
[M+H-H2O]+ -1.007825 91.5
[M+HCOO]- 60.993116 121.7
[M+CH3COO]- 75.008766 150.3
[M+Na-2H]- 36.969581 106.5
[M]+ 15.994366 95.9
[M]- 15.995464 95.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe