CID 6438577

87864-20-8

Structural Information

Molecular Formula
C11H14O2
SMILES
C1=CC=C(C=C1)/C=C/CCCOO
InChI
InChI=1S/C11H14O2/c12-13-10-6-2-5-9-11-7-3-1-4-8-11/h1,3-5,7-9,12H,2,6,10H2/b9-5+
InChIKey
MQSMIOKTOYAPHO-WEVVVXLNSA-N
Compound name
[(E)-5-hydroperoxypent-1-enyl]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

446
Patents

178.09938 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.10666 139.1
[M+Na]+ 201.08860 145.5
[M-H]- 177.09210 140.9
[M+NH4]+ 196.13320 158.4
[M+K]+ 217.06254 142.7
[M+H-H2O]+ 161.09664 133.2
[M+HCOO]- 223.09758 162.2
[M+CH3COO]- 237.11323 177.2
[M+Na-2H]- 199.07405 145.7
[M]+ 178.09883 139.9
[M]- 178.09993 139.9
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.