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

12
Patents

200.99016 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.997436 132.3
[M+Na]+ 223.979378 143.9
[M-H]- 199.982884 135.9
[M+NH4]+ 219.023983 152.1
[M+K]+ 239.953318 133.1
[M+H-H2O]+ 183.987420 131.2
[M+HCOO]- 245.988361 152.3
[M+CH3COO]- 260.004011 184.2
[M+Na-2H]- 221.964826 140.7
[M]+ 200.98961142 148.9
[M]- 200.99070858 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