CID 3076568

Benzenemethanol, alpha-((2-(dimethylamino)ethoxy)methyl)-, hydrochloride, (r)-

Structural Information

Molecular Formula
C12H19NO2
SMILES
CN(C)CCOC[C@@H](C1=CC=CC=C1)O
InChI
InChI=1S/C12H19NO2/c1-13(2)8-9-15-10-12(14)11-6-4-3-5-7-11/h3-7,12,14H,8-10H2,1-2H3/t12-/m0/s1
InChIKey
HMLZFCOBLZKRGO-LBPRGKRZSA-N
Compound name
(1R)-2-[2-(dimethylamino)ethoxy]-1-phenylethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
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 149.4
[M+Na]+ 232.130808 154.0
[M-H]- 208.134314 152.4
[M+NH4]+ 227.175413 167.7
[M+K]+ 248.104748 153.3
[M+H-H2O]+ 192.138850 142.6
[M+HCOO]- 254.139791 172.4
[M+CH3COO]- 268.155441 191.0
[M+Na-2H]- 230.116256 153.7
[M]+ 209.14104142 151.2
[M]- 209.14213858 151.2
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.