CID 496633

Nsc695579

Structural Information

Molecular Formula
C15H22O5
SMILES
CC1CCC2C(=C)C(OC3C24C1CCC(O3)(O4)C)OO
InChI
InChI=1S/C15H22O5/c1-8-4-5-11-9(2)12(19-16)17-13-15(11)10(8)6-7-14(3,18-13)20-15/h8,10-13,16H,2,4-7H2,1,3H3
InChIKey
ICQWJCPEHPZJOX-UHFFFAOYSA-N
Compound name
10-hydroperoxy-1,5-dimethyl-9-methylidene-11,14,15-trioxatetracyclo[10.2.1.04,13.08,13]pentadecane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

282.14673 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.15401 160.5
[M+Na]+ 305.13595 166.6
[M-H]- 281.13945 164.6
[M+NH4]+ 300.18055 180.8
[M+K]+ 321.10989 166.8
[M+H-H2O]+ 265.14399 155.8
[M+HCOO]- 327.14493 167.9
[M+CH3COO]- 341.16058 171.1
[M+Na-2H]- 303.12140 166.5
[M]+ 282.14618 160.6
[M]- 282.14728 160.6
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.