CID 42608263

(-)-4,10(20),14-bifloratriene

Structural Information

Molecular Formula
C20H32
SMILES
CC1=C[C@H]2[C@H](CC1)C(=C)CC[C@@H]2[C@@H](C)CCC=C(C)C
InChI
InChI=1S/C20H32/c1-14(2)7-6-8-16(4)19-12-10-17(5)18-11-9-15(3)13-20(18)19/h7,13,16,18-20H,5-6,8-12H2,1-4H3/t16-,18+,19+,20-/m0/s1
InChIKey
JMUSJUUKPWCCDS-NBYUQASBSA-N
Compound name
(1R,4aS,8aS)-7-methyl-1-[(2S)-6-methylhept-5-en-2-yl]-4-methylidene-2,3,4a,5,6,8a-hexahydro-1H-naphthalene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

272.2504 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.25768 170.7
[M+Na]+ 295.23962 173.6
[M-H]- 271.24312 173.2
[M+NH4]+ 290.28422 188.3
[M+K]+ 311.21356 168.8
[M+H-H2O]+ 255.24766 164.3
[M+HCOO]- 317.24860 183.9
[M+CH3COO]- 331.26425 206.2
[M+Na-2H]- 293.22507 167.7
[M]+ 272.24985 165.7
[M]- 272.25095 165.7
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.