CID 71173369

(1s,4s)-2-(5-bromopyrimidin-2-yl)-2,5-diazabicyclo(2.2.1)heptane

Structural Information

Molecular Formula
C9H11BrN4
SMILES
C1[C@H]2CN[C@@H]1CN2C3=NC=C(C=N3)Br
InChI
InChI=1S/C9H11BrN4/c10-6-2-12-9(13-3-6)14-5-7-1-8(14)4-11-7/h2-3,7-8,11H,1,4-5H2/t7-,8-/m0/s1
InChIKey
XYJOKNMLKGMNDK-YUMQZZPRSA-N
Compound name
(1S,4S)-2-(5-bromopyrimidin-2-yl)-2,5-diazabicyclo[2.2.1]heptane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

254.01671 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.02399 150.0
[M+Na]+ 277.00593 162.1
[M-H]- 253.00943 152.9
[M+NH4]+ 272.05053 170.1
[M+K]+ 292.97987 151.0
[M+H-H2O]+ 237.01397 148.8
[M+HCOO]- 299.01491 164.7
[M+CH3COO]- 313.03056 163.3
[M+Na-2H]- 274.99138 154.9
[M]+ 254.01616 165.5
[M]- 254.01726 165.5
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