CID 151247

87745-27-5

Structural Information

Molecular Formula
C9H13NO2
SMILES
C1=CC(=CC=C1C[C@@H](CO)N)O
InChI
InChI=1S/C9H13NO2/c10-8(6-11)5-7-1-3-9(12)4-2-7/h1-4,8,11-12H,5-6,10H2/t8-/m0/s1
InChIKey
DBLDQZASZZMNSL-QMMMGPOBSA-N
Compound name
4-[(2S)-2-amino-3-hydroxypropyl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

36
References

4387
Patents

167.09464 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.101916 136.1
[M+Na]+ 190.083858 142.4
[M-H]- 166.087364 136.6
[M+NH4]+ 185.128463 154.7
[M+K]+ 206.057798 139.7
[M+H-H2O]+ 150.091900 130.5
[M+HCOO]- 212.092841 157.4
[M+CH3COO]- 226.108491 176.5
[M+Na-2H]- 188.069306 140.4
[M]+ 167.09409142 133.0
[M]- 167.09518858 133.0
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