CID 62472

Ethyl hydroperoxide

Structural Information

Molecular Formula
C2H6O2
SMILES
CCOO
InChI
InChI=1S/C2H6O2/c1-2-4-3/h3H,2H2,1H3
InChIKey
ILHIHKRJJMKBEE-UHFFFAOYSA-N
Compound name
hydroperoxyethane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

38
References

13817
Patents

62.03678 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 63.044056 106.8
[M+Na]+ 85.025998 115.3
[M-H]- 61.029504 106.4
[M+NH4]+ 80.070603 131.1
[M+K]+ 100.99994 116.3
[M+H-H2O]+ 45.034040 103.4
[M+HCOO]- 107.03498 131.0
[M+CH3COO]- 121.05063 156.3
[M+Na-2H]- 83.011446 115.7
[M]+ 62.036231 107.6
[M]- 62.037329 107.6
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