CID 42608260

(-)-dilophol

Structural Information

Molecular Formula
C20H34O
SMILES
C/C/1=C\CC/C(=C/[C@@H]([C@@H](CC1)[C@@H](C)CCC=C(C)C)O)/C
InChI
InChI=1S/C20H34O/c1-15(2)8-6-11-18(5)19-13-12-16(3)9-7-10-17(4)14-20(19)21/h8-9,14,18-21H,6-7,10-13H2,1-5H3/b16-9+,17-14+/t18-,19-,20-/m0/s1
InChIKey
OUVXRPFTQJMCGW-BRPRPXEGSA-N
Compound name
(1R,2E,6E,10S)-3,7-dimethyl-10-[(2S)-6-methylhept-5-en-2-yl]cyclodeca-2,6-dien-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

290.26096 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.26824 173.5
[M+Na]+ 313.25018 177.0
[M-H]- 289.25368 172.3
[M+NH4]+ 308.29478 186.6
[M+K]+ 329.22412 173.9
[M+H-H2O]+ 273.25822 170.7
[M+HCOO]- 335.25916 188.2
[M+CH3COO]- 349.27481 202.1
[M+Na-2H]- 311.23563 169.0
[M]+ 290.26041 168.9
[M]- 290.26151 168.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.