CID 3021590

2-amino-1-(3-hydroxyphenyl)ethanone

Structural Information

Molecular Formula
C8H9NO2
SMILES
C1=CC(=CC(=C1)O)C(=O)CN
InChI
InChI=1S/C8H9NO2/c9-5-8(11)6-2-1-3-7(10)4-6/h1-4,10H,5,9H2
InChIKey
SCHLZTPPFPHHPY-UHFFFAOYSA-N
Compound name
2-amino-1-(3-hydroxyphenyl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

24
Patents

151.06332 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.07060 129.6
[M+Na]+ 174.05254 137.1
[M-H]- 150.05604 131.8
[M+NH4]+ 169.09714 149.6
[M+K]+ 190.02648 135.0
[M+H-H2O]+ 134.06058 124.2
[M+HCOO]- 196.06152 153.1
[M+CH3COO]- 210.07717 175.0
[M+Na-2H]- 172.03799 135.1
[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