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]+ 201.13863 144.9
[M+Na]+ 223.12057 152.5
[M-H]- 199.12407 148.1
[M+NH4]+ 218.16517 160.5
[M+K]+ 239.09451 147.2
[M+H-H2O]+ 183.12861 130.6
[M+HCOO]- 245.12955 160.8
[M+CH3COO]- 259.14520 155.1
[M+Na-2H]- 221.10602 149.6
[M]+ 200.13080 135.5
[M]- 200.13190 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