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 173.2
[M+Na]+ 313.25018 178.3
[M-H]- 289.25368 175.2
[M+NH4]+ 308.29478 193.8
[M+K]+ 329.22412 174.0
[M+H-H2O]+ 273.25822 168.8
[M+HCOO]- 335.25916 185.4
[M+CH3COO]- 349.27481 205.0
[M+Na-2H]- 311.23563 175.7
[M]+ 290.26041 170.4
[M]- 290.26151 170.4
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