CID 75144800

Cinncassiol d4

Structural Information

Molecular Formula
C20H32O5
SMILES
CC1C(CC2(C1C3C4(C5C2(CC(C4(C(C5)C(C)C)C)(O3)O)C)O)O)O
InChI
InChI=1S/C20H32O5/c1-9(2)11-6-13-16(4)8-19(23)17(11,5)20(13,24)15(25-19)14-10(3)12(21)7-18(14,16)22/h9-15,21-24H,6-8H2,1-5H3
InChIKey
HYKMWLWHCAPOKZ-UHFFFAOYSA-N
Compound name
3,7,10-trimethyl-11-propan-2-yl-15-oxapentacyclo[7.5.1.02,6.07,13.010,14]pentadecane-4,6,9,14-tetrol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

352.22498 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.23226 175.2
[M+Na]+ 375.21420 178.8
[M+NH4]+ 370.25880 189.1
[M+K]+ 391.18814 172.9
[M-H]- 351.21770 173.6
[M+Na-2H]- 373.19965 174.4
[M]+ 352.22443 175.7
[M]- 352.22553 175.7
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