CID 131862396

2-amino-5-(4-amino-3-methoxyphenyl)phenol

Structural Information

Molecular Formula
C13H14N2O2
SMILES
COC1=C(C=CC(=C1)C2=CC(=C(C=C2)N)O)N
InChI
InChI=1S/C13H14N2O2/c1-17-13-7-9(3-5-11(13)15)8-2-4-10(14)12(16)6-8/h2-7,16H,14-15H2,1H3
InChIKey
JQSCOPQWPVETTC-UHFFFAOYSA-N
Compound name
2-amino-5-(4-amino-3-methoxyphenyl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

230.10553 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.11281 150.9
[M+Na]+ 253.09475 159.5
[M-H]- 229.09825 156.4
[M+NH4]+ 248.13935 167.6
[M+K]+ 269.06869 155.4
[M+H-H2O]+ 213.10279 143.8
[M+HCOO]- 275.10373 175.3
[M+CH3COO]- 289.11938 194.2
[M+Na-2H]- 251.08020 154.7
[M]+ 230.10498 148.9
[M]- 230.10608 148.9
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