CID 21993910

4-(4-benzylpiperidin-1-yl)butan-1-amine

Structural Information

Molecular Formula
C16H26N2
SMILES
C1CN(CCC1CC2=CC=CC=C2)CCCCN
InChI
InChI=1S/C16H26N2/c17-10-4-5-11-18-12-8-16(9-13-18)14-15-6-2-1-3-7-15/h1-3,6-7,16H,4-5,8-14,17H2
InChIKey
DWCDIYVGRWHKMZ-UHFFFAOYSA-N
Compound name
4-(4-benzylpiperidin-1-yl)butan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

246.2096 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.21688 161.7
[M+Na]+ 269.19882 164.4
[M-H]- 245.20232 164.7
[M+NH4]+ 264.24342 176.7
[M+K]+ 285.17276 160.0
[M+H-H2O]+ 229.20686 152.8
[M+HCOO]- 291.20780 180.1
[M+CH3COO]- 305.22345 197.0
[M+Na-2H]- 267.18427 164.3
[M]+ 246.20905 156.3
[M]- 246.21015 156.3
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