CID 2737735

2-amino-5-bromo-4,6-dimethylpyrimidine

Structural Information

Molecular Formula
C6H8BrN3
SMILES
CC1=C(C(=NC(=N1)N)C)Br
InChI
InChI=1S/C6H8BrN3/c1-3-5(7)4(2)10-6(8)9-3/h1-2H3,(H2,8,9,10)
InChIKey
ACJZZTRAZBNBGJ-UHFFFAOYSA-N
Compound name
5-bromo-4,6-dimethylpyrimidin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

86
Patents

200.99016 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.997436 131.5
[M+Na]+ 223.979378 145.2
[M-H]- 199.982884 135.7
[M+NH4]+ 219.023983 152.0
[M+K]+ 239.953318 133.9
[M+H-H2O]+ 183.987420 130.7
[M+HCOO]- 245.988361 152.4
[M+CH3COO]- 260.004011 185.6
[M+Na-2H]- 221.964826 139.7
[M]+ 200.98961142 149.4
[M]- 200.99070858 149.4
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