CID 5660

Db-045748

Structural Information

Molecular Formula
C15H22O4
SMILES
CC1=CC2C(CC1)(C3(C(CC(C34CO4)O2)O)C)CO
InChI
InChI=1S/C15H22O4/c1-9-3-4-14(7-16)11(5-9)19-12-6-10(17)13(14,2)15(12)8-18-15/h5,10-12,16-17H,3-4,6-8H2,1-2H3
InChIKey
ZSRVBNXAPSQDFY-UHFFFAOYSA-N
Compound name
2-(hydroxymethyl)-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-11-ol
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

16
References

188
Patents

266.1518 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.15908 158.3
[M+Na]+ 289.14102 168.0
[M-H]- 265.14452 164.3
[M+NH4]+ 284.18562 176.5
[M+K]+ 305.11496 167.6
[M+H-H2O]+ 249.14906 155.0
[M+HCOO]- 311.15000 168.1
[M+CH3COO]- 325.16565 169.8
[M+Na-2H]- 287.12647 165.5
[M]+ 266.15125 161.8
[M]- 266.15235 161.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe