CID 11099

Benzyl alcohol, alpha-(1-aminoethyl)-p-hydroxy-, hydrochloride

Structural Information

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

2D Structure

compound 2d structure
4
Annotation Hits

33
References

549
Patents

167.09464 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.101916 136.5
[M+Na]+ 190.083858 142.6
[M-H]- 166.087364 137.2
[M+NH4]+ 185.128463 155.1
[M+K]+ 206.057798 140.5
[M+H-H2O]+ 150.091900 131.1
[M+HCOO]- 212.092841 156.9
[M+CH3COO]- 226.108491 177.4
[M+Na-2H]- 188.069306 139.6
[M]+ 167.09409142 132.9
[M]- 167.09518858 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

literature stripe

Patent stripe

patents stripe