CID 5324726

(1s,2s)-(+)-2-amino-3-methoxy-1-phenyl-1-propanol

Structural Information

Molecular Formula
C10H15NO2
SMILES
COC[C@@H]([C@H](C1=CC=CC=C1)O)N
InChI
InChI=1S/C10H15NO2/c1-13-7-9(11)10(12)8-5-3-2-4-6-8/h2-6,9-10,12H,7,11H2,1H3/t9-,10-/m0/s1
InChIKey
SNTCCWUWWYWRLN-UWVGGRQHSA-N
Compound name
(1S,2S)-2-amino-3-methoxy-1-phenylpropan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

73
Patents

181.11028 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.11756 141.0
[M+Na]+ 204.09950 146.1
[M-H]- 180.10300 142.5
[M+NH4]+ 199.14410 159.4
[M+K]+ 220.07344 144.6
[M+H-H2O]+ 164.10754 134.9
[M+HCOO]- 226.10848 162.6
[M+CH3COO]- 240.12413 181.7
[M+Na-2H]- 202.08495 144.8
[M]+ 181.10973 139.2
[M]- 181.11083 139.2
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