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]+ 212.12813 146.3
[M+Na]+ 234.11007 153.7
[M-H]- 210.11357 149.6
[M+NH4]+ 229.15467 165.0
[M+K]+ 250.08401 152.5
[M+H-H2O]+ 194.11811 139.7
[M+HCOO]- 256.11905 171.3
[M+CH3COO]- 270.13470 190.0
[M+Na-2H]- 232.09552 151.2
[M]+ 211.12030 150.3
[M]- 211.12140 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.