CID 111263

7158-25-0

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
3
Annotation Hits

0
References

567
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 153.5
[M+Na]+ 221.13007 162.0
[M-H]- 197.13357 159.1
[M+NH4]+ 216.17467 185.8
[M+K]+ 237.10401 157.7
[M+H-H2O]+ 181.13811 152.1
[M+HCOO]- 243.13905 172.6
[M+CH3COO]- 257.15470 166.7
[M+Na-2H]- 219.11552 151.0
[M]+ 198.14030 154.0
[M]- 198.14140 154.0
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