CID 14890520

(-)-amijiol

Structural Information

Molecular Formula
C20H32O2
SMILES
CC(C)C1=C2CC[C@@]3([C@@H](CCC(=C)[C@]3(C[C@]2(CC1)C)O)O)C
InChI
InChI=1S/C20H32O2/c1-13(2)15-8-10-18(4)12-20(22)14(3)6-7-17(21)19(20,5)11-9-16(15)18/h13,17,21-22H,3,6-12H2,1-2,4-5H3/t17-,18-,19-,20+/m1/s1
InChIKey
ZHDYUIWBYAYXJQ-WTGUMLROSA-N
Compound name
(5aR,6R,9aS,10aR)-5a,10a-dimethyl-9-methylidene-3-propan-2-yl-1,2,4,5,6,7,8,10-octahydrobenzo[f]azulene-6,9a-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

304.24023 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.24751 173.7
[M+Na]+ 327.22945 178.7
[M-H]- 303.23295 176.9
[M+NH4]+ 322.27405 196.0
[M+K]+ 343.20339 175.0
[M+H-H2O]+ 287.23749 170.3
[M+HCOO]- 349.23843 183.7
[M+CH3COO]- 363.25408 204.5
[M+Na-2H]- 325.21490 173.4
[M]+ 304.23968 166.1
[M]- 304.24078 166.1
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.