CID 10176981

2,2'-methylenebis(4-aminophenol)

Structural Information

Molecular Formula
C13H14N2O2
SMILES
C1=CC(=C(C=C1N)CC2=C(C=CC(=C2)N)O)O
InChI
InChI=1S/C13H14N2O2/c14-10-1-3-12(16)8(6-10)5-9-7-11(15)2-4-13(9)17/h1-4,6-7,16-17H,5,14-15H2
InChIKey
HLIGKHFHQXRAOX-UHFFFAOYSA-N
Compound name
4-amino-2-[(5-amino-2-hydroxyphenyl)methyl]phenol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

4000
Patents

230.10553 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.112806 151.1
[M+Na]+ 253.094748 159.3
[M-H]- 229.098254 155.3
[M+NH4]+ 248.139353 167.2
[M+K]+ 269.068688 154.4
[M+H-H2O]+ 213.102790 144.3
[M+HCOO]- 275.103731 174.0
[M+CH3COO]- 289.119381 192.0
[M+Na-2H]- 251.080196 154.5
[M]+ 230.10498142 147.3
[M]- 230.10607858 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