CID 73816843

7(14)-bisabolene-2,3,10,11-tetrol

Structural Information

Molecular Formula
C15H28O4
SMILES
CC1(CCC(CC1O)C(=C)CCC(C(C)(C)O)O)O
InChI
InChI=1S/C15H28O4/c1-10(5-6-12(16)14(2,3)18)11-7-8-15(4,19)13(17)9-11/h11-13,16-19H,1,5-9H2,2-4H3
InChIKey
DIVJRNQAZRYCIO-UHFFFAOYSA-N
Compound name
4-(5,6-dihydroxy-6-methylhept-1-en-2-yl)-1-methylcyclohexane-1,2-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

272.19876 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.20604 165.7
[M+Na]+ 295.18798 171.5
[M+NH4]+ 290.23258 171.7
[M+K]+ 311.16192 167.6
[M-H]- 271.19148 162.9
[M+Na-2H]- 293.17343 166.5
[M]+ 272.19821 165.4
[M]- 272.19931 165.4
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

No patent data available for this compound.