CID 188422

Dtxsid60977264

Structural Information

Molecular Formula
C10H15NO3
SMILES
COC1=C(C=C(C=C1)[C@H](CN)O)OC
InChI
InChI=1S/C10H15NO3/c1-13-9-4-3-7(8(12)6-11)5-10(9)14-2/h3-5,8,12H,6,11H2,1-2H3/t8-/m0/s1
InChIKey
WIUFFBGZBFVVDL-QMMMGPOBSA-N
Compound name
(1R)-2-amino-1-(3,4-dimethoxyphenyl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

197.1052 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.11248 142.8
[M+Na]+ 220.09442 149.9
[M-H]- 196.09792 144.9
[M+NH4]+ 215.13902 161.2
[M+K]+ 236.06836 148.5
[M+H-H2O]+ 180.10246 136.7
[M+HCOO]- 242.10340 165.5
[M+CH3COO]- 256.11905 185.3
[M+Na-2H]- 218.07987 146.4
[M]+ 197.10465 143.8
[M]- 197.10575 143.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe