CID 2802927

2-benzyl-2-azabicyclo[2.2.1]heptane-6-carbonitrile

Structural Information

Molecular Formula
C14H16N2
SMILES
C1C2CC(C1C#N)N(C2)CC3=CC=CC=C3
InChI
InChI=1S/C14H16N2/c15-8-13-6-12-7-14(13)16(10-12)9-11-4-2-1-3-5-11/h1-5,12-14H,6-7,9-10H2
InChIKey
HOUVLOCPFWAEHZ-UHFFFAOYSA-N
Compound name
2-benzyl-2-azabicyclo[2.2.1]heptane-6-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

212.13135 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.138626 150.3
[M+Na]+ 235.120568 160.4
[M-H]- 211.124074 153.7
[M+NH4]+ 230.165173 170.5
[M+K]+ 251.094508 152.8
[M+H-H2O]+ 195.128610 136.9
[M+HCOO]- 257.129551 167.0
[M+CH3COO]- 271.145201 161.3
[M+Na-2H]- 233.106016 152.4
[M]+ 212.13080142 143.8
[M]- 212.13189858 143.8
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

No patent data available for this compound.