CID 500364

Nsc695581

Structural Information

Molecular Formula
C15H22O5
SMILES
CC1CCC2C(=C)C(OC3C24C1CCC(O3)(OO4)C)O
InChI
InChI=1S/C15H22O5/c1-8-4-5-11-9(2)12(16)17-13-15(11)10(8)6-7-14(3,18-13)19-20-15/h8,10-13,16H,2,4-7H2,1,3H3
InChIKey
XLBJWAWVCDOYJG-UHFFFAOYSA-N
Compound name
1,5-dimethyl-9-methylidene-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecan-10-ol
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 159.2
[M+Na]+ 305.13595 167.1
[M-H]- 281.13945 164.0
[M+NH4]+ 300.18055 176.1
[M+K]+ 321.10989 164.7
[M+H-H2O]+ 265.14399 157.4
[M+HCOO]- 327.14493 162.2
[M+CH3COO]- 341.16058 168.0
[M+Na-2H]- 303.12140 168.7
[M]+ 282.14618 158.6
[M]- 282.14728 158.6
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.