CID 71877

Amfepentorex

Structural Information

Molecular Formula
C15H25N
SMILES
CCCCCC1=CC=C(C=C1)CC(C)NC
InChI
InChI=1S/C15H25N/c1-4-5-6-7-14-8-10-15(11-9-14)12-13(2)16-3/h8-11,13,16H,4-7,12H2,1-3H3
InChIKey
XWNBHORZFYYYIJ-UHFFFAOYSA-N
Compound name
N-methyl-1-(4-pentylphenyl)propan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

80
Patents

219.1987 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.20598 155.7
[M+Na]+ 242.18792 167.2
[M+NH4]+ 237.23252 164.3
[M+K]+ 258.16186 159.0
[M-H]- 218.19142 159.0
[M+Na-2H]- 240.17337 162.0
[M]+ 219.19815 158.3
[M]- 219.19925 158.3
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