CID 28804583

(2r)-2-amino-3-(4-methoxyphenyl)propan-1-ol

Structural Information

Molecular Formula
C10H15NO2
SMILES
COC1=CC=C(C=C1)C[C@H](CO)N
InChI
InChI=1S/C10H15NO2/c1-13-10-4-2-8(3-5-10)6-9(11)7-12/h2-5,9,12H,6-7,11H2,1H3/t9-/m1/s1
InChIKey
GVLHBFBFUSPHJO-SECBINFHSA-N
Compound name
(2R)-2-amino-3-(4-methoxyphenyl)propan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

181.11028 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.11756 140.2
[M+Na]+ 204.09950 146.5
[M-H]- 180.10300 142.0
[M+NH4]+ 199.14410 159.0
[M+K]+ 220.07344 144.5
[M+H-H2O]+ 164.10754 134.2
[M+HCOO]- 226.10848 162.7
[M+CH3COO]- 240.12413 182.0
[M+Na-2H]- 202.08495 144.6
[M]+ 181.10973 139.4
[M]- 181.11083 139.4
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