CID 5906

Metaraminol

Structural Information

Molecular Formula
C9H13NO2
SMILES
C[C@@H]([C@@H](C1=CC(=CC=C1)O)O)N
InChI
InChI=1S/C9H13NO2/c1-6(10)9(12)7-3-2-4-8(11)5-7/h2-6,9,11-12H,10H2,1H3/t6-,9-/m0/s1
InChIKey
WXFIGDLSSYIKKV-RCOVLWMOSA-N
Compound name
3-[(1R,2S)-2-amino-1-hydroxypropyl]phenol
Related CIDs

2D Structure

compound 2d structure
8
Annotation Hits

1045
References

5737
Patents

167.09464 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.10192 136.5
[M+Na]+ 190.08386 142.6
[M-H]- 166.08736 137.2
[M+NH4]+ 185.12846 155.1
[M+K]+ 206.05780 140.5
[M+H-H2O]+ 150.09190 131.1
[M+HCOO]- 212.09284 156.9
[M+CH3COO]- 226.10849 177.4
[M+Na-2H]- 188.06931 139.6
[M]+ 167.09409 132.9
[M]- 167.09519 132.9
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