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
2
Annotation Hits

0
References

101
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 155.9
[M+Na]+ 242.18792 160.5
[M-H]- 218.19142 158.7
[M+NH4]+ 237.23252 174.3
[M+K]+ 258.16186 157.6
[M+H-H2O]+ 202.19596 149.1
[M+HCOO]- 264.19690 178.4
[M+CH3COO]- 278.21255 196.3
[M+Na-2H]- 240.17337 159.1
[M]+ 219.19815 156.9
[M]- 219.19925 156.9
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

No patent data available for this compound.