CID 496634

Nsc695580

Structural Information

Molecular Formula
C15H22O6
SMILES
CC1CCC(C23C1CCC(OC2OC=O)(OO3)C)C(=O)C
InChI
InChI=1S/C15H22O6/c1-9-4-5-12(10(2)17)15-11(9)6-7-14(3,20-21-15)19-13(15)18-8-16/h8-9,11-13H,4-7H2,1-3H3
InChIKey
ZPLAEYFSCSICSG-UHFFFAOYSA-N
Compound name
(2-acetyl-5,9-dimethyl-10,11,13-trioxatricyclo[7.2.2.01,6]tridecan-12-yl) formate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

298.14163 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.14891 164.2
[M+Na]+ 321.13085 171.7
[M-H]- 297.13435 168.5
[M+NH4]+ 316.17545 181.6
[M+K]+ 337.10479 170.8
[M+H-H2O]+ 281.13889 163.2
[M+HCOO]- 343.13983 170.4
[M+CH3COO]- 357.15548 173.3
[M+Na-2H]- 319.11630 173.4
[M]+ 298.14108 166.6
[M]- 298.14218 166.6
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.