CID 688523

Methoxamine, (-)-

Structural Information

Molecular Formula
C11H17NO3
SMILES
C[C@@H]([C@@H](C1=C(C=CC(=C1)OC)OC)O)N
InChI
InChI=1S/C11H17NO3/c1-7(12)11(13)9-6-8(14-2)4-5-10(9)15-3/h4-7,11,13H,12H2,1-3H3/t7-,11-/m0/s1
InChIKey
WJAJPNHVVFWKKL-CPCISQLKSA-N
Compound name
(1R,2S)-2-amino-1-(2,5-dimethoxyphenyl)propan-1-ol
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

2329
References

7988
Patents

211.12085 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.12813 147.7
[M+Na]+ 234.11007 154.2
[M-H]- 210.11357 149.8
[M+NH4]+ 229.15467 165.5
[M+K]+ 250.08401 153.2
[M+H-H2O]+ 194.11811 141.7
[M+HCOO]- 256.11905 169.2
[M+CH3COO]- 270.13470 189.3
[M+Na-2H]- 232.09552 149.6
[M]+ 211.12030 148.5
[M]- 211.12140 148.5
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