CID 20561658

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

Structural Information

Molecular Formula
C12H19NO3
SMILES
CC(CC1=CC(=C(C=C1)OC)OC)(CO)N
InChI
InChI=1S/C12H19NO3/c1-12(13,8-14)7-9-4-5-10(15-2)11(6-9)16-3/h4-6,14H,7-8,13H2,1-3H3
InChIKey
BEIRIAUUKCPMFX-UHFFFAOYSA-N
Compound name
2-amino-3-(3,4-dimethoxyphenyl)-2-methylpropan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

225.13649 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.143766 151.7
[M+Na]+ 248.125708 158.7
[M-H]- 224.129214 153.7
[M+NH4]+ 243.170313 169.2
[M+K]+ 264.099648 156.8
[M+H-H2O]+ 208.133750 145.9
[M+HCOO]- 270.134691 173.2
[M+CH3COO]- 284.150341 190.9
[M+Na-2H]- 246.111156 156.4
[M]+ 225.13594142 153.7
[M]- 225.13703858 153.7
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

patents stripe