CID 384926

Nsc675729

Structural Information

Molecular Formula
C15H22O5
SMILES
CC1(CCCC2(C13C=CC(O2)(OO3)CC(=O)OC)C)C
InChI
InChI=1S/C15H22O5/c1-12(2)6-5-7-13(3)15(12)9-8-14(18-13,19-20-15)10-11(16)17-4/h8-9H,5-7,10H2,1-4H3
InChIKey
ADTXDAPARRCUCX-UHFFFAOYSA-N
Compound name
methyl 2-(2,2,6-trimethyl-7,9,10-trioxatricyclo[6.2.2.01,6]dodec-11-en-8-yl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

282.14673 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.15401 158.5
[M+Na]+ 305.13595 164.6
[M-H]- 281.13945 159.8
[M+NH4]+ 300.18055 182.2
[M+K]+ 321.10989 167.0
[M+H-H2O]+ 265.14399 151.4
[M+HCOO]- 327.14493 164.7
[M+CH3COO]- 341.16058 168.9
[M+Na-2H]- 303.12140 172.6
[M]+ 282.14618 165.5
[M]- 282.14728 165.5
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.