CID 928784

Ns00121220

Structural Information

Molecular Formula
C12H19NO2
SMILES
C[C@@H]([C@@H](C1=CC=CC=C1)O)N(C)CCO
InChI
InChI=1S/C12H19NO2/c1-10(13(2)8-9-14)12(15)11-6-4-3-5-7-11/h3-7,10,12,14-15H,8-9H2,1-2H3/t10-,12-/m0/s1
InChIKey
DZUDAROQGILUTD-JQWIXIFHSA-N
Compound name
(1R,2S)-2-[2-hydroxyethyl(methyl)amino]-1-phenylpropan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

209.14159 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.148866 150.1
[M+Na]+ 232.130808 154.0
[M-H]- 208.134314 151.8
[M+NH4]+ 227.175413 167.6
[M+K]+ 248.104748 153.0
[M+H-H2O]+ 192.138850 143.7
[M+HCOO]- 254.139791 170.6
[M+CH3COO]- 268.155441 189.3
[M+Na-2H]- 230.116256 152.6
[M]+ 209.14104142 149.4
[M]- 209.14213858 149.4
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.