CID 75144797

Cinncassiol d1

Structural Information

Molecular Formula
C20H32O5
SMILES
CC(CO)C1CC2C3(CC4(C1(C2(C(O4)C5C3CCC5(C)O)O)C)O)C
InChI
InChI=1S/C20H32O5/c1-10(8-21)12-7-13-16(2)9-19(23)18(12,4)20(13,24)15(25-19)14-11(16)5-6-17(14,3)22/h10-15,21-24H,5-9H2,1-4H3
InChIKey
RZCWUZMNOGOMNA-UHFFFAOYSA-N
Compound name
11-(1-hydroxypropan-2-yl)-3,7,10-trimethyl-15-oxapentacyclo[7.5.1.02,6.07,13.010,14]pentadecane-3,9,14-triol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

352.22498 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.23226 176.5
[M+Na]+ 375.21420 179.7
[M+NH4]+ 370.25880 190.4
[M+K]+ 391.18814 173.6
[M-H]- 351.21770 174.8
[M+Na-2H]- 373.19965 175.8
[M]+ 352.22443 176.9
[M]- 352.22553 176.9
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