CID 7577789

129157-10-4

Structural Information

Molecular Formula
C16H26N2
SMILES
CC(C)N[C@@H](CN1CCCCC1)C2=CC=CC=C2
InChI
InChI=1S/C16H26N2/c1-14(2)17-16(15-9-5-3-6-10-15)13-18-11-7-4-8-12-18/h3,5-6,9-10,14,16-17H,4,7-8,11-13H2,1-2H3/t16-/m0/s1
InChIKey
MOSZAQRPQVSXBM-INIZCTEOSA-N
Compound name
N-[(1R)-1-phenyl-2-piperidin-1-ylethyl]propan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

246.2096 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.21688 162.0
[M+Na]+ 269.19882 163.1
[M-H]- 245.20232 165.3
[M+NH4]+ 264.24342 176.7
[M+K]+ 285.17276 160.1
[M+H-H2O]+ 229.20686 153.0
[M+HCOO]- 291.20780 179.0
[M+CH3COO]- 305.22345 198.2
[M+Na-2H]- 267.18427 163.9
[M]+ 246.20905 155.9
[M]- 246.21015 155.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe