CID 2725073

1-amino-3-phenoxypropan-2-ol

Structural Information

Molecular Formula
C9H13NO2
SMILES
C1=CC=C(C=C1)OCC(CN)O
InChI
InChI=1S/C9H13NO2/c10-6-8(11)7-12-9-4-2-1-3-5-9/h1-5,8,11H,6-7,10H2
InChIKey
JZEHWMUIAKALDN-UHFFFAOYSA-N
Compound name
1-amino-3-phenoxypropan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

674
Patents

167.09464 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.101916 135.7
[M+Na]+ 190.083858 141.5
[M-H]- 166.087364 137.3
[M+NH4]+ 185.128463 154.8
[M+K]+ 206.057798 139.8
[M+H-H2O]+ 150.091900 129.7
[M+HCOO]- 212.092841 158.7
[M+CH3COO]- 226.108491 177.8
[M+Na-2H]- 188.069306 141.4
[M]+ 167.09409142 134.2
[M]- 167.09518858 134.2
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