CID 139591515

Lydicene

Structural Information

Molecular Formula
C20H32
SMILES
CC1=CC[C@@]2(CC[C@]3(CCC(CC3=C2CC1)(C)C)C)C
InChI
InChI=1S/C20H32/c1-15-6-7-16-17-14-18(2,3)10-11-20(17,5)13-12-19(16,4)9-8-15/h8H,6-7,9-14H2,1-5H3/t19-,20-/m1/s1
InChIKey
YOIRRAMAGAXTPB-WOJBJXKFSA-N
Compound name
(4aR,6aS)-2,2,4a,6a,9-pentamethyl-1,3,4,5,6,7,10,11-octahydrocyclohepta[a]naphthalene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

272.2504 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.257676 165.6
[M+Na]+ 295.239618 170.8
[M-H]- 271.243124 171.1
[M+NH4]+ 290.284223 188.7
[M+K]+ 311.213558 168.0
[M+H-H2O]+ 255.247660 160.1
[M+HCOO]- 317.248601 178.4
[M+CH3COO]- 331.264251 175.7
[M+Na-2H]- 293.225066 169.3
[M]+ 272.24985142 158.6
[M]- 272.25094858 158.6
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.