CID 3084521

1-(2-amino-5-hydroxyphenyl)ethanone

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

151.06332 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.07060 129.7
[M+Na]+ 174.05254 141.3
[M+NH4]+ 169.09714 137.6
[M+K]+ 190.02648 136.6
[M-H]- 150.05604 131.4
[M+Na-2H]- 172.03799 135.5
[M]+ 151.06277 131.6
[M]- 151.06387 131.6
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