CID 70699552

1215932-56-1

Structural Information

Molecular Formula
C9H12BrN3O
SMILES
C1COCCN1C2=C(C=C(C=N2)N)Br
InChI
InChI=1S/C9H12BrN3O/c10-8-5-7(11)6-12-9(8)13-1-3-14-4-2-13/h5-6H,1-4,11H2
InChIKey
LHELECNPYPJWHD-UHFFFAOYSA-N
Compound name
5-bromo-6-morpholin-4-ylpyridin-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

257.01636 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.023636 149.0
[M+Na]+ 280.005578 158.6
[M-H]- 256.009084 155.3
[M+NH4]+ 275.050183 165.1
[M+K]+ 295.979518 148.4
[M+H-H2O]+ 240.013620 146.8
[M+HCOO]- 302.014561 165.6
[M+CH3COO]- 316.030211 162.2
[M+Na-2H]- 277.991026 156.2
[M]+ 257.01581142 163.2
[M]- 257.01690858 163.2
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

No patent data available for this compound.