CID 69866

Tetralin hydroperoxide

Structural Information

Molecular Formula
C10H12O2
SMILES
C1CC(C2=CC=CC=C2C1)OO
InChI
InChI=1S/C10H12O2/c11-12-10-7-3-5-8-4-1-2-6-9(8)10/h1-2,4,6,10-11H,3,5,7H2
InChIKey
YWBMNCRJFZGXJY-UHFFFAOYSA-N
Compound name
1-hydroperoxy-1,2,3,4-tetrahydronaphthalene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

2525
Patents

164.08372 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.09100 131.9
[M+Na]+ 187.07294 138.7
[M-H]- 163.07644 134.8
[M+NH4]+ 182.11754 152.9
[M+K]+ 203.04688 136.4
[M+H-H2O]+ 147.08098 126.4
[M+HCOO]- 209.08192 152.2
[M+CH3COO]- 223.09757 175.0
[M+Na-2H]- 185.05839 139.8
[M]+ 164.08317 129.5
[M]- 164.08427 129.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.