CID 145865723

Ns00067027

Structural Information

Molecular Formula
C18H26O5
SMILES
CC1=CC2C(CC1)(C3(C(C(C(C34CC4)O2)O)O)C)COC(=O)C
InChI
InChI=1S/C18H26O5/c1-10-4-5-18(9-22-11(2)19)12(8-10)23-15-13(20)14(21)16(18,3)17(15)6-7-17/h8,12-15,20-21H,4-7,9H2,1-3H3
InChIKey
JEEMXIZVKNXKNM-UHFFFAOYSA-N
Compound name
(10,11-dihydroxy-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,1'-cyclopropane]-2-yl)methyl acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

322.178 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.185276 173.9
[M+Na]+ 345.167218 182.8
[M-H]- 321.170724 178.8
[M+NH4]+ 340.211823 191.1
[M+K]+ 361.141158 180.9
[M+H-H2O]+ 305.175260 171.1
[M+HCOO]- 367.176201 182.8
[M+CH3COO]- 381.191851 206.6
[M+Na-2H]- 343.152666 177.6
[M]+ 322.17745142 178.2
[M]- 322.17854858 178.2
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.