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]+ 264.23218 169.0
[M+Na]+ 286.21412 172.5
[M-H]- 262.21762 171.5
[M+NH4]+ 281.25872 185.5
[M+K]+ 302.18806 170.0
[M+H-H2O]+ 246.22216 161.7
[M+HCOO]- 308.22310 190.1
[M+CH3COO]- 322.23875 205.1
[M+Na-2H]- 284.19957 169.9
[M]+ 263.22435 171.6
[M]- 263.22545 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.