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
1
Annotation Hits

0
References

5
Patents

229.1579 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.16518 153.9
[M+Na]+ 252.14712 161.3
[M-H]- 228.15062 157.3
[M+NH4]+ 247.19172 170.0
[M+K]+ 268.12106 155.7
[M+H-H2O]+ 212.15516 139.6
[M+HCOO]- 274.15610 170.4
[M+CH3COO]- 288.17175 203.5
[M+Na-2H]- 250.13257 159.2
[M]+ 229.15735 144.5
[M]- 229.15845 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