CID 42608240

Verrucosanene

Structural Information

Molecular Formula
C20H32
SMILES
CC(C)C1CCC2(C1=C3CC4(CC4CC3(CC2)C)C)C
InChI
InChI=1S/C20H32/c1-13(2)15-6-7-18(3)8-9-19(4)10-14-11-20(14,5)12-16(19)17(15)18/h13-15H,6-12H2,1-5H3
InChIKey
UULKIKMWRORZDV-UHFFFAOYSA-N
Compound name
6,9,13-trimethyl-3-propan-2-yltetracyclo[7.5.0.02,6.011,13]tetradec-1-ene
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 170.9
[M+Na]+ 295.23962 179.2
[M-H]- 271.24312 176.6
[M+NH4]+ 290.28422 192.9
[M+K]+ 311.21356 175.2
[M+H-H2O]+ 255.24766 166.1
[M+HCOO]- 317.24860 182.0
[M+CH3COO]- 331.26425 181.3
[M+Na-2H]- 293.22507 172.6
[M]+ 272.24985 170.9
[M]- 272.25095 170.9
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.