CID 10514609

147769-93-5

Structural Information

Molecular Formula
C16H26N2
SMILES
CC(C)C[C@@H](C1=CC=CC=C1N2CCCCC2)N
InChI
InChI=1S/C16H26N2/c1-13(2)12-15(17)14-8-4-5-9-16(14)18-10-6-3-7-11-18/h4-5,8-9,13,15H,3,6-7,10-12,17H2,1-2H3/t15-/m0/s1
InChIKey
CARYLRSDNWJCJV-HNNXBMFYSA-N
Compound name
(1S)-3-methyl-1-(2-piperidin-1-ylphenyl)butan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

61
Patents

246.2096 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.21688 162.6
[M+Na]+ 269.19882 164.7
[M-H]- 245.20232 165.8
[M+NH4]+ 264.24342 177.4
[M+K]+ 285.17276 161.4
[M+H-H2O]+ 229.20686 154.0
[M+HCOO]- 291.20780 179.0
[M+CH3COO]- 305.22345 198.7
[M+Na-2H]- 267.18427 162.8
[M]+ 246.20905 156.0
[M]- 246.21015 156.0
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