CID 61055221

3-(2-amino-1-hydroxypropan-2-yl)phenol hydrochloride

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

167.09464 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.10192 135.7
[M+Na]+ 190.08386 142.8
[M-H]- 166.08736 136.5
[M+NH4]+ 185.12846 154.6
[M+K]+ 206.05780 140.1
[M+H-H2O]+ 150.09190 130.8
[M+HCOO]- 212.09284 156.5
[M+CH3COO]- 226.10849 175.9
[M+Na-2H]- 188.06931 142.1
[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

No patent data available for this compound.