CID 42608236

Dolabella-3,7,18-triene

Structural Information

Molecular Formula
C20H32
SMILES
C/C/1=C\CC/C(=C/C[C@]2(CC[C@@H](C2CC1)C(=C)C)C)/C
InChI
InChI=1S/C20H32/c1-15(2)18-12-14-20(5)13-11-17(4)8-6-7-16(3)9-10-19(18)20/h7,11,18-19H,1,6,8-10,12-14H2,2-5H3/b16-7+,17-11+/t18-,19?,20+/m1/s1
InChIKey
KZHMFCYCMBPVGZ-XURQOJJZSA-N
Compound name
(1S,3aR,5E,9E)-3a,6,10-trimethyl-1-prop-1-en-2-yl-2,3,4,7,8,11,12,12a-octahydro-1H-cyclopenta[11]annulene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

272.2504 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.25768 167.6
[M+Na]+ 295.23962 172.5
[M-H]- 271.24312 169.1
[M+NH4]+ 290.28422 186.6
[M+K]+ 311.21356 169.0
[M+H-H2O]+ 255.24766 165.6
[M+HCOO]- 317.24860 183.2
[M+CH3COO]- 331.26425 198.7
[M+Na-2H]- 293.22507 165.1
[M]+ 272.24985 160.9
[M]- 272.25095 160.9
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.