CID 13210067

36806-65-2

Structural Information

Molecular Formula
C15H18
SMILES
C1C2C=CC1C3C2CC4C3C5CC4C=C5
InChI
InChI=1S/C15H18/c1-3-10-5-8(1)12-7-13-9-2-4-11(6-9)15(13)14(10)12/h1-4,8-15H,5-7H2
InChIKey
QTPFGTKLGUJTLV-UHFFFAOYSA-N
Compound name
pentacyclo[9.2.1.14,7.02,10.03,8]pentadeca-5,12-diene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

274
Patents

198.14085 Da
Monoisotopic Mass

3.7
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

literature stripe

Patent stripe

patents stripe