CID 9543006

Octyl hydroperoxide

Structural Information

Molecular Formula
C8H18O2
SMILES
CCCCCCCCOO
InChI
InChI=1S/C8H18O2/c1-2-3-4-5-6-7-8-10-9/h9H,2-8H2,1H3
InChIKey
BESWQAXCVAOXFV-UHFFFAOYSA-N
Compound name
1-hydroperoxyoctane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

216
Patents

146.13068 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 147.13796 134.7
[M+Na]+ 169.11990 140.7
[M-H]- 145.12340 133.2
[M+NH4]+ 164.16450 155.7
[M+K]+ 185.09384 140.0
[M+H-H2O]+ 129.12794 130.0
[M+HCOO]- 191.12888 156.9
[M+CH3COO]- 205.14453 174.5
[M+Na-2H]- 167.10535 140.3
[M]+ 146.13013 137.8
[M]- 146.13123 137.8
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