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]+ 247.216876 161.7
[M+Na]+ 269.198818 164.4
[M-H]- 245.202324 164.7
[M+NH4]+ 264.243423 176.7
[M+K]+ 285.172758 160.0
[M+H-H2O]+ 229.206860 152.8
[M+HCOO]- 291.207801 180.1
[M+CH3COO]- 305.223451 197.0
[M+Na-2H]- 267.184266 164.3
[M]+ 246.20905142 156.3
[M]- 246.21014858 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