CID 15519950

(-)-cyatha-3,12-diene

Structural Information

Molecular Formula
C20H32
SMILES
CC1=CC[C@@]2(CC[C@]3(CCC(=C3[C@H]2CC1)C(C)C)C)C
InChI
InChI=1S/C20H32/c1-14(2)16-9-11-20(5)13-12-19(4)10-8-15(3)6-7-17(19)18(16)20/h8,14,17H,6-7,9-13H2,1-5H3/t17-,19-,20-/m1/s1
InChIKey
HYUVPCPBEOBIGN-MISYRCLQSA-N
Compound name
(3aS,5aS,10aS)-3a,5a,8-trimethyl-1-propan-2-yl-2,3,4,5,6,9,10,10a-octahydrocyclohepta[e]indene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

272.2504 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.257676 167.7
[M+Na]+ 295.239618 172.5
[M-H]- 271.243124 173.3
[M+NH4]+ 290.284223 190.7
[M+K]+ 311.213558 169.5
[M+H-H2O]+ 255.247660 163.2
[M+HCOO]- 317.248601 181.6
[M+CH3COO]- 331.264251 178.0
[M+Na-2H]- 293.225066 167.9
[M]+ 272.24985142 161.7
[M]- 272.25094858 161.7
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.