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]+ 226.14377 150.4
[M+Na]+ 248.12571 157.3
[M-H]- 224.12921 154.0
[M+NH4]+ 243.17031 168.7
[M+K]+ 264.09965 156.2
[M+H-H2O]+ 208.13375 143.6
[M+HCOO]- 270.13469 175.6
[M+CH3COO]- 284.15034 193.6
[M+Na-2H]- 246.11116 155.9
[M]+ 225.13594 155.7
[M]- 225.13704 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.