CID 130545552

2135587-14-1

Structural Information

Molecular Formula
C8H10BrN3
SMILES
C1CC(C1)(C2=NC=C(C=N2)Br)N
InChI
InChI=1S/C8H10BrN3/c9-6-4-11-7(12-5-6)8(10)2-1-3-8/h4-5H,1-3,10H2
InChIKey
VUHAESANUFLXLM-UHFFFAOYSA-N
Compound name
1-(5-bromopyrimidin-2-yl)cyclobutan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

25
Patents

227.00581 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.01309 132.4
[M+Na]+ 249.99503 142.7
[M-H]- 225.99853 138.6
[M+NH4]+ 245.03963 147.0
[M+K]+ 265.96897 134.8
[M+H-H2O]+ 210.00307 126.9
[M+HCOO]- 272.00401 151.4
[M+CH3COO]- 286.01966 190.0
[M+Na-2H]- 247.98048 142.0
[M]+ 227.00526 155.8
[M]- 227.00636 155.8
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