CID 80095404

3-(3-amino-2-hydroxypropyl)phenol hydrochloride

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.