CID 58368

N-(3-(o-methoxyphenyl)propyl)hexylamine hydrochloride

Structural Information

Molecular Formula
C16H27NO
SMILES
CCCCCCNCCCC1=CC=CC=C1OC
InChI
InChI=1S/C16H27NO/c1-3-4-5-8-13-17-14-9-11-15-10-6-7-12-16(15)18-2/h6-7,10,12,17H,3-5,8-9,11,13-14H2,1-2H3
InChIKey
OGMZQAHVERSCBD-UHFFFAOYSA-N
Compound name
N-[3-(2-methoxyphenyl)propyl]hexan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

249.20926 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.21654 163.0
[M+Na]+ 272.19848 167.4
[M-H]- 248.20198 165.5
[M+NH4]+ 267.24308 180.2
[M+K]+ 288.17242 164.2
[M+H-H2O]+ 232.20652 155.7
[M+HCOO]- 294.20746 186.5
[M+CH3COO]- 308.22311 200.5
[M+Na-2H]- 270.18393 167.0
[M]+ 249.20871 166.5
[M]- 249.20981 166.5
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.