CID 3064405

O-methoxy-alpha-methyl-n-(1-methylhexyl)-phenethylamine hydrochloride

Structural Information

Molecular Formula
C17H29NO
SMILES
CCCCCC(C)NC(C)CC1=CC=CC=C1OC
InChI
InChI=1S/C17H29NO/c1-5-6-7-10-14(2)18-15(3)13-16-11-8-9-12-17(16)19-4/h8-9,11-12,14-15,18H,5-7,10,13H2,1-4H3
InChIKey
LAZGNXBXWIABHP-UHFFFAOYSA-N
Compound name
N-[1-(2-methoxyphenyl)propan-2-yl]heptan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

263.2249 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.232176 169.0
[M+Na]+ 286.214118 172.5
[M-H]- 262.217624 171.5
[M+NH4]+ 281.258723 185.5
[M+K]+ 302.188058 170.0
[M+H-H2O]+ 246.222160 161.7
[M+HCOO]- 308.223101 190.1
[M+CH3COO]- 322.238751 205.1
[M+Na-2H]- 284.199566 169.9
[M]+ 263.22435142 171.6
[M]- 263.22544858 171.6
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.