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 132.3
[M+Na]+ 223.97938 143.9
[M-H]- 199.98288 135.9
[M+NH4]+ 219.02398 152.1
[M+K]+ 239.95332 133.1
[M+H-H2O]+ 183.98742 131.2
[M+HCOO]- 245.98836 152.3
[M+CH3COO]- 260.00401 184.2
[M+Na-2H]- 221.96483 140.7
[M]+ 200.98961 148.9
[M]- 200.99071 148.9
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