CID 441379

2'-aminobiphenyl-2,3-diol

Structural Information

Molecular Formula
C12H11NO2
SMILES
C1=CC=C(C(=C1)C2=C(C(=CC=C2)O)O)N
InChI
InChI=1S/C12H11NO2/c13-10-6-2-1-4-8(10)9-5-3-7-11(14)12(9)15/h1-7,14-15H,13H2
InChIKey
WPDDFIBFWKUENN-UHFFFAOYSA-N
Compound name
3-(2-aminophenyl)benzene-1,2-diol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

7
References

79
Patents

201.07898 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.08626 142.1
[M+Na]+ 224.06820 150.6
[M-H]- 200.07170 146.6
[M+NH4]+ 219.11280 159.7
[M+K]+ 240.04214 146.2
[M+H-H2O]+ 184.07624 135.8
[M+HCOO]- 246.07718 165.0
[M+CH3COO]- 260.09283 182.9
[M+Na-2H]- 222.05365 147.5
[M]+ 201.07843 139.2
[M]- 201.07953 139.2
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