CID 1484610

4-(pyrimidin-2-yloxy)aniline

Structural Information

Molecular Formula
C10H9N3O
SMILES
C1=CN=C(N=C1)OC2=CC=C(C=C2)N
InChI
InChI=1S/C10H9N3O/c11-8-2-4-9(5-3-8)14-10-12-6-1-7-13-10/h1-7H,11H2
InChIKey
OYPOTUTZLSXURN-UHFFFAOYSA-N
Compound name
4-pyrimidin-2-yloxyaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

46
Patents

187.07455 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.08183 138.0
[M+Na]+ 210.06377 146.5
[M-H]- 186.06727 141.9
[M+NH4]+ 205.10837 154.3
[M+K]+ 226.03771 143.1
[M+H-H2O]+ 170.07181 129.3
[M+HCOO]- 232.07275 161.8
[M+CH3COO]- 246.08840 151.0
[M+Na-2H]- 208.04922 147.2
[M]+ 187.07400 136.8
[M]- 187.07510 136.8
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