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

110
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 151.1
[M+Na]+ 238.13146 159.0
[M-H]- 214.13496 154.2
[M+NH4]+ 233.17606 167.4
[M+K]+ 254.10540 153.2
[M+H-H2O]+ 198.13950 137.1
[M+HCOO]- 260.14044 167.3
[M+CH3COO]- 274.15609 160.9
[M+Na-2H]- 236.11691 155.9
[M]+ 215.14169 140.5
[M]- 215.14279 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