CID 70378

953-79-7

Structural Information

Molecular Formula
C14H19N3
SMILES
CNC1(CCN(CC1)CC2=CC=CC=C2)C#N
InChI
InChI=1S/C14H19N3/c1-16-14(12-15)7-9-17(10-8-14)11-13-5-3-2-4-6-13/h2-6,16H,7-11H2,1H3
InChIKey
NVTHHBZDNKNEDB-UHFFFAOYSA-N
Compound name
1-benzyl-4-(methylamino)piperidine-4-carbonitrile
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

6
Patents

229.1579 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.165176 153.9
[M+Na]+ 252.147118 161.3
[M-H]- 228.150624 157.3
[M+NH4]+ 247.191723 170.0
[M+K]+ 268.121058 155.7
[M+H-H2O]+ 212.155160 139.6
[M+HCOO]- 274.156101 170.4
[M+CH3COO]- 288.171751 203.5
[M+Na-2H]- 250.132566 159.2
[M]+ 229.15735142 144.5
[M]- 229.15844858 144.5
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