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

103
Patents

215.14224 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.149516 151.1
[M+Na]+ 238.131458 159.0
[M-H]- 214.134964 154.2
[M+NH4]+ 233.176063 167.4
[M+K]+ 254.105398 153.2
[M+H-H2O]+ 198.139500 137.1
[M+HCOO]- 260.140441 167.3
[M+CH3COO]- 274.156091 160.9
[M+Na-2H]- 236.116906 155.9
[M]+ 215.14169142 140.5
[M]- 215.14278858 140.5
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