CID 203115

Brn 0811811

Structural Information

Molecular Formula
C10H12BrN5
SMILES
C1CN1C2=C(C(=NC(=N2)N3CC3)N4CC4)Br
InChI
InChI=1S/C10H12BrN5/c11-7-8(14-1-2-14)12-10(16-5-6-16)13-9(7)15-3-4-15/h1-6H2
InChIKey
CUNSZHPJMHWYKA-UHFFFAOYSA-N
Compound name
2,4,6-tris(aziridin-1-yl)-5-bromopyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

281.02762 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.03490 203.7
[M+Na]+ 304.01684 212.0
[M-H]- 280.02034 209.4
[M+NH4]+ 299.06144 202.2
[M+K]+ 319.99078 202.7
[M+H-H2O]+ 264.02488 200.7
[M+HCOO]- 326.02582 214.5
[M+CH3COO]- 340.04147 208.0
[M+Na-2H]- 302.00229 201.3
[M]+ 281.02707 217.2
[M]- 281.02817 217.2
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.