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]+ 168.10192 136.1
[M+Na]+ 190.08386 142.4
[M-H]- 166.08736 136.6
[M+NH4]+ 185.12846 154.7
[M+K]+ 206.05780 139.7
[M+H-H2O]+ 150.09190 130.5
[M+HCOO]- 212.09284 157.4
[M+CH3COO]- 226.10849 176.5
[M+Na-2H]- 188.06931 140.4
[M]+ 167.09409 133.0
[M]- 167.09519 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.