CID 111263

Tricyclopentadiene

Structural Information

Molecular Formula
C15H18
SMILES
C1C=CC2C1C3CC2C4C3C5CC4C=C5
InChI
InChI=1S/C15H18/c1-2-10-11(3-1)13-7-12(10)14-8-4-5-9(6-8)15(13)14/h1-2,4-5,8-15H,3,6-7H2
InChIKey
XCGKRTHKVBCXLN-UHFFFAOYSA-N
Compound name
pentacyclo[6.5.1.13,6.02,7.09,13]pentadeca-4,10-diene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

538
Patents

198.14085 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.14813 144.4
[M+Na]+ 221.13007 152.2
[M+NH4]+ 216.17467 156.9
[M+K]+ 237.10401 154.1
[M-H]- 197.13357 145.8
[M+Na-2H]- 219.11552 142.3
[M]+ 198.14030 145.8
[M]- 198.14140 145.8
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

patents stripe