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

665
Patents

198.14085 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.148126 147.2
[M+Na]+ 221.130068 154.0
[M-H]- 197.133574 153.1
[M+NH4]+ 216.174673 171.6
[M+K]+ 237.104008 149.8
[M+H-H2O]+ 181.138110 141.5
[M+HCOO]- 243.139051 169.6
[M+CH3COO]- 257.154701 160.4
[M+Na-2H]- 219.115516 150.5
[M]+ 198.14030142 146.5
[M]- 198.14139858 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