CID 52987854

(5-bromopyrimidin-2-yl)methanamine

Structural Information

Molecular Formula
C5H6BrN3
SMILES
C1=C(C=NC(=N1)CN)Br
InChI
InChI=1S/C5H6BrN3/c6-4-2-8-5(1-7)9-3-4/h2-3H,1,7H2
InChIKey
PGHBRKZCXZVOSO-UHFFFAOYSA-N
Compound name
(5-bromopyrimidin-2-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

47
Patents

186.9745 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.98178 130.7
[M+Na]+ 209.96372 134.2
[M+NH4]+ 205.00832 135.4
[M+K]+ 225.93766 134.4
[M-H]- 185.96722 131.0
[M+Na-2H]- 207.94917 135.1
[M]+ 186.97395 130.0
[M]- 186.97505 130.0
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