CID 77096

1-benzyl-4-(propylamino)piperidine-4-carbonitrile

Structural Information

Molecular Formula
C16H23N3
SMILES
CCCNC1(CCN(CC1)CC2=CC=CC=C2)C#N
InChI
InChI=1S/C16H23N3/c1-2-10-18-16(14-17)8-11-19(12-9-16)13-15-6-4-3-5-7-15/h3-7,18H,2,8-13H2,1H3
InChIKey
UKAHSGVHHIAEEA-UHFFFAOYSA-N
Compound name
1-benzyl-4-(propylamino)piperidine-4-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

257.1892 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.196476 161.4
[M+Na]+ 280.178418 168.0
[M-H]- 256.181924 164.4
[M+NH4]+ 275.223023 176.4
[M+K]+ 296.152358 161.9
[M+H-H2O]+ 240.186460 146.7
[M+HCOO]- 302.187401 177.3
[M+CH3COO]- 316.203051 208.8
[M+Na-2H]- 278.163866 165.8
[M]+ 257.18865142 152.6
[M]- 257.18974858 152.6
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

No patent data available for this compound.