CID 12305526

18-deoxysagittarol

Structural Information

Molecular Formula
C20H34O
SMILES
CC1CCC2(C(C1(C)CCC(C)(C=C)O)CCC=C2C)C
InChI
InChI=1S/C20H34O/c1-7-18(4,21)13-14-20(6)16(3)11-12-19(5)15(2)9-8-10-17(19)20/h7,9,16-17,21H,1,8,10-14H2,2-6H3
InChIKey
YBDUXZKWDIUNSG-UHFFFAOYSA-N
Compound name
5-(1,2,4a,5-tetramethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl)-3-methylpent-1-en-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

5
Patents

290.26096 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.26824 174.2
[M+Na]+ 313.25018 184.3
[M+NH4]+ 308.29478 185.3
[M+K]+ 329.22412 173.3
[M-H]- 289.25368 175.9
[M+Na-2H]- 311.23563 179.5
[M]+ 290.26041 176.5
[M]- 290.26151 176.5
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