CID 66869

1,4-benzenediamine, n1-(4-methoxyphenyl)-

Structural Information

Molecular Formula
C13H14N2O
SMILES
COC1=CC=C(C=C1)NC2=CC=C(C=C2)N
InChI
InChI=1S/C13H14N2O/c1-16-13-8-6-12(7-9-13)15-11-4-2-10(14)3-5-11/h2-9,15H,14H2,1H3
InChIKey
RBLUJIWKMSZIMK-UHFFFAOYSA-N
Compound name
4-N-(4-methoxyphenyl)benzene-1,4-diamine
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

2
References

972
Patents

214.11061 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.11789 146.2
[M+Na]+ 237.09983 153.5
[M-H]- 213.10333 152.8
[M+NH4]+ 232.14443 164.1
[M+K]+ 253.07377 149.9
[M+H-H2O]+ 197.10787 138.7
[M+HCOO]- 259.10881 172.6
[M+CH3COO]- 273.12446 192.5
[M+Na-2H]- 235.08528 153.2
[M]+ 214.11006 144.8
[M]- 214.11116 144.8
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