CID 60234

4,4'-(methylenedioxy)dianiline dihydrochloride

Structural Information

Molecular Formula
C13H14N2O2
SMILES
C1=CC(=CC=C1N)OCOC2=CC=C(C=C2)N
InChI
InChI=1S/C13H14N2O2/c14-10-1-5-12(6-2-10)16-9-17-13-7-3-11(15)4-8-13/h1-8H,9,14-15H2
InChIKey
ZRZCNDIPIZYLSC-UHFFFAOYSA-N
Compound name
4-[(4-aminophenoxy)methoxy]aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

437
Patents

230.10553 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.11281 149.7
[M+Na]+ 253.09475 156.8
[M-H]- 229.09825 155.8
[M+NH4]+ 248.13935 166.5
[M+K]+ 269.06869 153.5
[M+H-H2O]+ 213.10279 141.9
[M+HCOO]- 275.10373 175.7
[M+CH3COO]- 289.11938 194.1
[M+Na-2H]- 251.08020 155.6
[M]+ 230.10498 148.7
[M]- 230.10608 148.7
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