CID 101603339

Sagittariol

Structural Information

Molecular Formula
C20H34O2
SMILES
CC1CCC2(C(C1(C)CCC(C)(C=C)O)CCC=C2CO)C
InChI
InChI=1S/C20H34O2/c1-6-18(3,22)12-13-19(4)15(2)10-11-20(5)16(14-21)8-7-9-17(19)20/h6,8,15,17,21-22H,1,7,9-14H2,2-5H3
InChIKey
VAQFTHFEFSWPGQ-UHFFFAOYSA-N
Compound name
5-[5-(hydroxymethyl)-1,2,4a-trimethyl-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

0
References

0
Patents

306.2559 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.26318 177.7
[M+Na]+ 329.24512 182.3
[M-H]- 305.24862 178.2
[M+NH4]+ 324.28972 196.8
[M+K]+ 345.21906 177.7
[M+H-H2O]+ 289.25316 173.5
[M+HCOO]- 351.25410 188.5
[M+CH3COO]- 365.26975 204.6
[M+Na-2H]- 327.23057 179.9
[M]+ 306.25535 174.5
[M]- 306.25645 174.5
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

No patent data available for this compound.