CID 14025838

1-(3-aminopropoxy)-3,5-dimethoxybenzene hydrochloride

Structural Information

Molecular Formula
C11H17NO3
SMILES
COC1=CC(=CC(=C1)OCCCN)OC
InChI
InChI=1S/C11H17NO3/c1-13-9-6-10(14-2)8-11(7-9)15-5-3-4-12/h6-8H,3-5,12H2,1-2H3
InChIKey
IUUQYACEAUJOOB-UHFFFAOYSA-N
Compound name
3-(3,5-dimethoxyphenoxy)propan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

211.12085 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.128126 146.3
[M+Na]+ 234.110068 153.7
[M-H]- 210.113574 149.6
[M+NH4]+ 229.154673 165.0
[M+K]+ 250.084008 152.5
[M+H-H2O]+ 194.118110 139.7
[M+HCOO]- 256.119051 171.3
[M+CH3COO]- 270.134701 190.0
[M+Na-2H]- 232.095516 151.2
[M]+ 211.12030142 150.3
[M]- 211.12139858 150.3
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.