CID 86097939

4-(6-bromopyridazin-3-yl)morpholine

Structural Information

Molecular Formula
C8H10BrN3O
SMILES
C1COCCN1C2=NN=C(C=C2)Br
InChI
InChI=1S/C8H10BrN3O/c9-7-1-2-8(11-10-7)12-3-5-13-6-4-12/h1-2H,3-6H2
InChIKey
DGGYNJDQLBXTMA-UHFFFAOYSA-N
Compound name
4-(6-bromopyridazin-3-yl)morpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

62
Patents

243.00072 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.007996 143.0
[M+Na]+ 265.989938 153.2
[M-H]- 241.993444 148.3
[M+NH4]+ 261.034543 158.7
[M+K]+ 281.963878 143.9
[M+H-H2O]+ 225.997980 141.0
[M+HCOO]- 287.998921 158.4
[M+CH3COO]- 302.014571 156.5
[M+Na-2H]- 263.975386 152.2
[M]+ 243.00017142 158.7
[M]- 243.00126858 158.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe