CID 197171

Coriolin

Structural Information

Molecular Formula
C15H20O5
SMILES
C[C@]12[C@H]3[C@H](CC([C@@H]3O)(C)C)[C@@H](C14C(O4)C(=O)[C@@]25CO5)O
InChI
InChI=1S/C15H20O5/c1-12(2)4-6-7(9(12)17)13(3)14(5-19-14)10(18)11-15(13,20-11)8(6)16/h6-9,11,16-17H,4-5H2,1-3H3/t6-,7-,8-,9+,11?,13+,14-,15?/m0/s1
InChIKey
OMAFWWAJLVYWPU-OVTUTYDCSA-N
Compound name
(2S,3S,6R,7R,8S,9S)-2,6-dihydroxy-5,5,8-trimethylspiro[12-oxatetracyclo[6.4.0.01,11.03,7]dodecane-9,2'-oxirane]-10-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

10
References

0
Patents

280.13107 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.13835 159.5
[M+Na]+ 303.12029 170.1
[M-H]- 279.12379 167.4
[M+NH4]+ 298.16489 174.8
[M+K]+ 319.09423 170.3
[M+H-H2O]+ 263.12833 162.4
[M+HCOO]- 325.12927 166.3
[M+CH3COO]- 339.14492 170.0
[M+Na-2H]- 301.10574 162.8
[M]+ 280.13052 168.6
[M]- 280.13162 168.6
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

No patent data available for this compound.