CID 22931257

1-benzylpiperidine-3-carbonitrile

Structural Information

Molecular Formula
C13H16N2
SMILES
C1CC(CN(C1)CC2=CC=CC=C2)C#N
InChI
InChI=1S/C13H16N2/c14-9-13-7-4-8-15(11-13)10-12-5-2-1-3-6-12/h1-3,5-6,13H,4,7-8,10-11H2
InChIKey
RNWAFQDLIHHQAP-UHFFFAOYSA-N
Compound name
1-benzylpiperidine-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

200.13135 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.138626 144.9
[M+Na]+ 223.120568 152.5
[M-H]- 199.124074 148.1
[M+NH4]+ 218.165173 160.5
[M+K]+ 239.094508 147.2
[M+H-H2O]+ 183.128610 130.6
[M+HCOO]- 245.129551 160.8
[M+CH3COO]- 259.145201 155.1
[M+Na-2H]- 221.106016 149.6
[M]+ 200.13080142 135.5
[M]- 200.13189858 135.5
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