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

literature stripe

Patent stripe

patents stripe