CID 138746

4,4'-methylenebis(2-aminophenol)

Structural Information

Molecular Formula
C13H14N2O2
SMILES
C1=CC(=C(C=C1CC2=CC(=C(C=C2)O)N)N)O
InChI
InChI=1S/C13H14N2O2/c14-10-6-8(1-3-12(10)16)5-9-2-4-13(17)11(15)7-9/h1-4,6-7,16-17H,5,14-15H2
InChIKey
KCFVSHSJPIVGCG-UHFFFAOYSA-N
Compound name
2-amino-4-[(3-amino-4-hydroxyphenyl)methyl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

1747
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 151.1
[M+Na]+ 253.09475 159.3
[M-H]- 229.09825 155.3
[M+NH4]+ 248.13935 167.2
[M+K]+ 269.06869 154.4
[M+H-H2O]+ 213.10279 144.3
[M+HCOO]- 275.10373 174.0
[M+CH3COO]- 289.11938 192.0
[M+Na-2H]- 251.08020 154.5
[M]+ 230.10498 147.3
[M]- 230.10608 147.3
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