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

720
Patents

198.14085 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.148126 153.5
[M+Na]+ 221.130068 162.0
[M-H]- 197.133574 159.1
[M+NH4]+ 216.174673 185.8
[M+K]+ 237.104008 157.7
[M+H-H2O]+ 181.138110 152.1
[M+HCOO]- 243.139051 172.6
[M+CH3COO]- 257.154701 166.7
[M+Na-2H]- 219.115516 151.0
[M]+ 198.14030142 154.0
[M]- 198.14139858 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