CID 73099741

Anhydrocinnzeylanol

Structural Information

Molecular Formula
C20H30O6
SMILES
CC1CCC2(C3(CC(=O)OC2(C1O)C4(C3(CC(=C4C)C(C)C)O)O)C)O
InChI
InChI=1S/C20H30O6/c1-10(2)13-8-18(24)16(5)9-14(21)26-20(19(18,25)12(13)4)15(22)11(3)6-7-17(16,20)23/h10-11,15,22-25H,6-9H2,1-5H3
InChIKey
JFDHTDLZWVKRQT-UHFFFAOYSA-N
Compound name
2,6,8,12-tetrahydroxy-3,7,11-trimethyl-4-propan-2-yl-13-oxatetracyclo[5.5.3.01,8.02,6]pentadec-3-en-14-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

20
Patents

366.20422 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.211496 180.0
[M+Na]+ 389.193438 189.2
[M-H]- 365.196944 182.0
[M+NH4]+ 384.238043 205.0
[M+K]+ 405.167378 185.4
[M+H-H2O]+ 349.201480 179.6
[M+HCOO]- 411.202421 186.4
[M+CH3COO]- 425.218071 211.0
[M+Na-2H]- 387.178886 182.9
[M]+ 366.20367142 180.6
[M]- 366.20476858 180.6
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.