CID 21426212

Bicyclo(2.2.1)hept-2-ene, 5-(2-phenylethyl)-

Structural Information

Molecular Formula
C15H18
SMILES
C1C2CC(C1C=C2)CCC3=CC=CC=C3
InChI
InChI=1S/C15H18/c1-2-4-12(5-3-1)6-8-14-10-13-7-9-15(14)11-13/h1-5,7,9,13-15H,6,8,10-11H2
InChIKey
BEHBBKCBARHMJQ-UHFFFAOYSA-N
Compound name
5-(2-phenylethyl)bicyclo[2.2.1]hept-2-ene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

649
Patents

198.14085 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.14813 147.2
[M+Na]+ 221.13007 154.0
[M-H]- 197.13357 153.1
[M+NH4]+ 216.17467 171.6
[M+K]+ 237.10401 149.8
[M+H-H2O]+ 181.13811 141.5
[M+HCOO]- 243.13905 169.6
[M+CH3COO]- 257.15470 160.4
[M+Na-2H]- 219.11552 150.5
[M]+ 198.14030 146.5
[M]- 198.14140 146.5
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