CID 3042968

1-(4-amino-3-hydroxyphenyl)ethanone

Structural Information

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

2D Structure

compound 2d structure
2
Annotation Hits

0
References

59
Patents

151.06332 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.070596 129.2
[M+Na]+ 174.052538 137.6
[M-H]- 150.056044 131.8
[M+NH4]+ 169.097143 149.5
[M+K]+ 190.026478 135.6
[M+H-H2O]+ 134.060580 124.0
[M+HCOO]- 196.061521 152.6
[M+CH3COO]- 210.077171 176.2
[M+Na-2H]- 172.037986 134.0
[M]+ 151.06277142 127.4
[M]- 151.06386858 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