CID 459294

3-amino-2-hydroxyacetophenone

Structural Information

Molecular Formula
C8H9NO2
SMILES
CC(=O)C1=C(C(=CC=C1)N)O
InChI
InChI=1S/C8H9NO2/c1-5(10)6-3-2-4-7(9)8(6)11/h2-4,11H,9H2,1H3
InChIKey
NLLYXOVHEQVWJF-UHFFFAOYSA-N
Compound name
1-(3-amino-2-hydroxyphenyl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

185
Patents

151.06332 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.07060 129.2
[M+Na]+ 174.05254 137.6
[M-H]- 150.05604 131.8
[M+NH4]+ 169.09714 149.5
[M+K]+ 190.02648 135.6
[M+H-H2O]+ 134.06058 124.0
[M+HCOO]- 196.06152 152.6
[M+CH3COO]- 210.07717 176.2
[M+Na-2H]- 172.03799 134.0
[M]+ 151.06277 127.4
[M]- 151.06387 127.4
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