CID 48893

67031-38-3

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

4
Patents

167.09464 Da
Monoisotopic Mass

0.8
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

No literature data available for this compound.

Patent stripe

patents stripe