CID 562499

1-benzylpiperidine-4-acetonitrile

Structural Information

Molecular Formula
C14H18N2
SMILES
C1CN(CCC1CC#N)CC2=CC=CC=C2
InChI
InChI=1S/C14H18N2/c15-9-6-13-7-10-16(11-8-13)12-14-4-2-1-3-5-14/h1-5,13H,6-8,10-12H2
InChIKey
ZKOHFVJCKMHYSL-UHFFFAOYSA-N
Compound name
2-(1-benzylpiperidin-4-yl)acetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

54
Patents

214.147 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.15428 148.8
[M+Na]+ 237.13622 156.0
[M-H]- 213.13972 151.8
[M+NH4]+ 232.18082 163.8
[M+K]+ 253.11016 150.5
[M+H-H2O]+ 197.14426 134.3
[M+HCOO]- 259.14520 164.3
[M+CH3COO]- 273.16085 199.5
[M+Na-2H]- 235.12167 153.0
[M]+ 214.14645 139.7
[M]- 214.14755 139.7
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