CID 10659816

Fusicocca-2,10(14)-diene

Structural Information

Molecular Formula
C20H32
SMILES
C[C@H]1CCC2=C(CC[C@@]2(CC3=C(CC[C@@H]13)C)C)C(C)C
InChI
InChI=1S/C20H32/c1-13(2)16-10-11-20(5)12-18-15(4)6-8-17(18)14(3)7-9-19(16)20/h13-14,17H,6-12H2,1-5H3/t14-,17-,20+/m0/s1
InChIKey
PZSFDLBSQBBRAM-GZRFBZBPSA-N
Compound name
(3R,10S,11S)-3,10,14-trimethyl-6-propan-2-yltricyclo[9.3.0.03,7]tetradeca-1(14),6-diene
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

7
References

32
Patents

272.2504 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.25768 186.6
[M+Na]+ 295.23962 191.1
[M-H]- 271.24312 188.9
[M+NH4]+ 290.28422 197.3
[M+K]+ 311.21356 189.5
[M+H-H2O]+ 255.24766 182.9
[M+HCOO]- 317.24860 193.0
[M+CH3COO]- 331.26425 189.7
[M+Na-2H]- 293.22507 181.0
[M]+ 272.24985 185.1
[M]- 272.25095 185.1
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

patents stripe