CID 63317417

1-(5-bromopyrimidin-2-yl)ethan-1-amine

Structural Information

Molecular Formula
C6H8BrN3
SMILES
CC(C1=NC=C(C=N1)Br)N
InChI
InChI=1S/C6H8BrN3/c1-4(8)6-9-2-5(7)3-10-6/h2-4H,8H2,1H3
InChIKey
ZUZVRVFAUSSLNI-UHFFFAOYSA-N
Compound name
1-(5-bromopyrimidin-2-yl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

200.99016 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.99744 134.0
[M+Na]+ 223.97938 137.1
[M+NH4]+ 219.02398 138.5
[M+K]+ 239.95332 137.8
[M-H]- 199.98288 134.2
[M+Na-2H]- 221.96483 137.9
[M]+ 200.98961 133.2
[M]- 200.99071 133.2
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

patents stripe