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]+ 273.25768 165.6
[M+Na]+ 295.23962 170.8
[M-H]- 271.24312 171.1
[M+NH4]+ 290.28422 188.7
[M+K]+ 311.21356 168.0
[M+H-H2O]+ 255.24766 160.1
[M+HCOO]- 317.24860 178.4
[M+CH3COO]- 331.26425 175.7
[M+Na-2H]- 293.22507 169.3
[M]+ 272.24985 158.6
[M]- 272.25095 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.