CID 159832

Atomic oxygen

Structural Information

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

2D Structure

compound 2d structure
2
Annotation Hits

4501
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 97.3
[M+Na]+ 38.984133 105.8
[M-H]- 14.987639 96.2
[M+NH4]+ 34.028738 122.8
[M+K]+ 54.958073 106.4
[M+H-H2O]+ -1.007825 93.7
[M+HCOO]- 60.993116 121.6
[M+CH3COO]- 75.008766 146.7
[M+Na-2H]- 36.969581 106.8
[M]+ 15.994366 95.1
[M]- 15.995464 95.1
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