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]+ 258.02364 149.0
[M+Na]+ 280.00558 158.6
[M-H]- 256.00908 155.3
[M+NH4]+ 275.05018 165.1
[M+K]+ 295.97952 148.4
[M+H-H2O]+ 240.01362 146.8
[M+HCOO]- 302.01456 165.6
[M+CH3COO]- 316.03021 162.2
[M+Na-2H]- 277.99103 156.2
[M]+ 257.01581 163.2
[M]- 257.01691 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.