CID 458824

2,2'-oxydianiline

Structural Information

Molecular Formula
C12H12N2O
SMILES
C1=CC=C(C(=C1)N)OC2=CC=CC=C2N
InChI
InChI=1S/C12H12N2O/c13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)14/h1-8H,13-14H2
InChIKey
GOJFAKBEASOYNM-UHFFFAOYSA-N
Compound name
2-(2-aminophenoxy)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

1327
Patents

200.09496 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.10224 142.1
[M+Na]+ 223.08418 149.9
[M-H]- 199.08768 148.5
[M+NH4]+ 218.12878 160.3
[M+K]+ 239.05812 146.1
[M+H-H2O]+ 183.09222 134.9
[M+HCOO]- 245.09316 168.3
[M+CH3COO]- 259.10881 188.9
[M+Na-2H]- 221.06963 148.6
[M]+ 200.09441 139.4
[M]- 200.09551 139.4
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