CID 28260079

[3-(3,5-dimethoxyphenoxy)propyl](methyl)amine hydrochloride

Structural Information

Molecular Formula
C12H19NO3
SMILES
CNCCCOC1=CC(=CC(=C1)OC)OC
InChI
InChI=1S/C12H19NO3/c1-13-5-4-6-16-12-8-10(14-2)7-11(9-12)15-3/h7-9,13H,4-6H2,1-3H3
InChIKey
FIFPZILNHJWWPU-UHFFFAOYSA-N
Compound name
3-(3,5-dimethoxyphenoxy)-N-methylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

225.13649 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.143766 150.4
[M+Na]+ 248.125708 157.3
[M-H]- 224.129214 154.0
[M+NH4]+ 243.170313 168.7
[M+K]+ 264.099648 156.2
[M+H-H2O]+ 208.133750 143.6
[M+HCOO]- 270.134691 175.6
[M+CH3COO]- 284.150341 193.6
[M+Na-2H]- 246.111156 155.9
[M]+ 225.13594142 155.7
[M]- 225.13703858 155.7
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.