CID 12814072

3-amino-2-(3,4-dimethoxyphenyl)propan-1-ol hydrochloride

Structural Information

Molecular Formula
C11H17NO3
SMILES
COC1=C(C=C(C=C1)C(CN)CO)OC
InChI
InChI=1S/C11H17NO3/c1-14-10-4-3-8(5-11(10)15-2)9(6-12)7-13/h3-5,9,13H,6-7,12H2,1-2H3
InChIKey
LLTMJMRLIPCICJ-UHFFFAOYSA-N
Compound name
3-amino-2-(3,4-dimethoxyphenyl)propan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

211.12085 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.128126 147.4
[M+Na]+ 234.110068 154.1
[M-H]- 210.113574 149.3
[M+NH4]+ 229.154673 165.2
[M+K]+ 250.084008 152.5
[M+H-H2O]+ 194.118110 141.2
[M+HCOO]- 256.119051 169.8
[M+CH3COO]- 270.134701 188.3
[M+Na-2H]- 232.095516 150.5
[M]+ 211.12030142 148.8
[M]- 211.12139858 148.8
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

patents stripe