CID 10680206

4-amino-1-benzylpiperidine-4-carbonitrile

Structural Information

Molecular Formula
C13H17N3
SMILES
C1CN(CCC1(C#N)N)CC2=CC=CC=C2
InChI
InChI=1S/C13H17N3/c14-11-13(15)6-8-16(9-7-13)10-12-4-2-1-3-5-12/h1-5H,6-10,15H2
InChIKey
GKFZBGLUEBXSBF-UHFFFAOYSA-N
Compound name
4-amino-1-benzylpiperidine-4-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

107
Patents

215.14224 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.14952 153.8
[M+Na]+ 238.13146 165.1
[M+NH4]+ 233.17606 160.2
[M+K]+ 254.10540 153.0
[M-H]- 214.13496 150.6
[M+Na-2H]- 236.11691 159.7
[M]+ 215.14169 153.7
[M]- 215.14279 153.7
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