CID 3052856

5-exo-benzyl-2-norbornene-5-endo-carboxamide

Structural Information

Molecular Formula
C15H17NO
SMILES
C1C2CC(C1C=C2)(CC3=CC=CC=C3)C(=O)N
InChI
InChI=1S/C15H17NO/c16-14(17)15(9-11-4-2-1-3-5-11)10-12-6-7-13(15)8-12/h1-7,12-13H,8-10H2,(H2,16,17)
InChIKey
VLQYPBJFDGJZCY-UHFFFAOYSA-N
Compound name
2-benzylbicyclo[2.2.1]hept-5-ene-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

227.13101 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.13829 153.8
[M+Na]+ 250.12023 160.6
[M-H]- 226.12373 159.6
[M+NH4]+ 245.16483 178.2
[M+K]+ 266.09417 156.4
[M+H-H2O]+ 210.12827 148.3
[M+HCOO]- 272.12921 176.0
[M+CH3COO]- 286.14486 166.4
[M+Na-2H]- 248.10568 156.7
[M]+ 227.13046 151.8
[M]- 227.13156 151.8
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

No patent data available for this compound.