CID 42608261

Dictyolene

Structural Information

Molecular Formula
C20H32O
SMILES
CC1=CC=C[C@]2([C@@H]1[C@@H]([C@@H](CC2)[C@@H](C)CCC=C(C)C)O)C
InChI
InChI=1S/C20H32O/c1-14(2)8-6-9-15(3)17-11-13-20(5)12-7-10-16(4)18(20)19(17)21/h7-8,10,12,15,17-19,21H,6,9,11,13H2,1-5H3/t15-,17-,18-,19+,20+/m0/s1
InChIKey
YUHUOUBGCGOZNO-AEEMCCEDSA-N
Compound name
(1R,2S,4aS,8aR)-4a,8-dimethyl-2-[(2S)-6-methylhept-5-en-2-yl]-2,3,4,8a-tetrahydro-1H-naphthalen-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

288.24533 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.25261 174.0
[M+Na]+ 311.23455 178.1
[M-H]- 287.23805 175.8
[M+NH4]+ 306.27915 192.4
[M+K]+ 327.20849 173.8
[M+H-H2O]+ 271.24259 168.4
[M+HCOO]- 333.24353 187.1
[M+CH3COO]- 347.25918 205.6
[M+Na-2H]- 309.22000 172.6
[M]+ 288.24478 171.1
[M]- 288.24588 171.1
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.