CID 384925

Nsc675728

Structural Information

Molecular Formula
C15H22O4
SMILES
CC(=O)OC1CCC2(CC3C=CC2(C1(C)C)OO3)C
InChI
InChI=1S/C15H22O4/c1-10(16)17-12-6-7-14(4)9-11-5-8-15(14,19-18-11)13(12,2)3/h5,8,11-12H,6-7,9H2,1-4H3
InChIKey
NGYLJCKMMSTHAU-UHFFFAOYSA-N
Compound name
(2,2,6-trimethyl-9,10-dioxatricyclo[6.2.2.01,6]dodec-11-en-3-yl) acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

266.1518 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.15908 157.8
[M+Na]+ 289.14102 163.5
[M-H]- 265.14452 158.4
[M+NH4]+ 284.18562 181.9
[M+K]+ 305.11496 164.1
[M+H-H2O]+ 249.14906 151.1
[M+HCOO]- 311.15000 164.7
[M+CH3COO]- 325.16565 168.1
[M+Na-2H]- 287.12647 169.4
[M]+ 266.15125 162.5
[M]- 266.15235 162.5
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.