CID 48893

Alpha-(1-aminoethyl)-2-hydroxybenzyl alcohol hydrochloride

Structural Information

Molecular Formula
C9H13NO2
SMILES
CC(C(C1=CC=CC=C1O)O)N
InChI
InChI=1S/C9H13NO2/c1-6(10)9(12)7-4-2-3-5-8(7)11/h2-6,9,11-12H,10H2,1H3
InChIKey
DNGMWKBHVLBBML-UHFFFAOYSA-N
Compound name
2-(2-amino-1-hydroxypropyl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

167.09464 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.10192 136.5
[M+Na]+ 190.08386 142.6
[M-H]- 166.08736 137.2
[M+NH4]+ 185.12846 155.1
[M+K]+ 206.05780 140.5
[M+H-H2O]+ 150.09190 131.1
[M+HCOO]- 212.09284 156.9
[M+CH3COO]- 226.10849 177.4
[M+Na-2H]- 188.06931 139.6
[M]+ 167.09409 132.9
[M]- 167.09519 132.9
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

patents stripe