CID 43196827

3-amino-2-[(3,5-dimethoxyphenyl)methyl]propan-1-ol

Structural Information

Molecular Formula
C12H19NO3
SMILES
COC1=CC(=CC(=C1)CC(CN)CO)OC
InChI
InChI=1S/C12H19NO3/c1-15-11-4-9(3-10(7-13)8-14)5-12(6-11)16-2/h4-6,10,14H,3,7-8,13H2,1-2H3
InChIKey
LZVNICOTZCXKSS-UHFFFAOYSA-N
Compound name
2-(aminomethyl)-3-(3,5-dimethoxyphenyl)propan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

225.13649 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.14377 151.6
[M+Na]+ 248.12571 161.8
[M+NH4]+ 243.17031 158.4
[M+K]+ 264.09965 156.7
[M-H]- 224.12921 152.7
[M+Na-2H]- 246.11116 155.9
[M]+ 225.13594 153.1
[M]- 225.13704 153.1
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.