CID 12735315

5-bromo-n,n-dimethylpyrimidin-2-amine

Structural Information

Molecular Formula
C6H8BrN3
SMILES
CN(C)C1=NC=C(C=N1)Br
InChI
InChI=1S/C6H8BrN3/c1-10(2)6-8-3-5(7)4-9-6/h3-4H,1-2H3
InChIKey
NYMYGNLCILQUMT-UHFFFAOYSA-N
Compound name
5-bromo-N,N-dimethylpyrimidin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

324
Patents

200.99016 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.997436 130.4
[M+Na]+ 223.979378 142.5
[M-H]- 199.982884 135.8
[M+NH4]+ 219.023983 151.2
[M+K]+ 239.953318 133.0
[M+H-H2O]+ 183.987420 129.1
[M+HCOO]- 245.988361 152.5
[M+CH3COO]- 260.004011 187.3
[M+Na-2H]- 221.964826 140.4
[M]+ 200.98961142 149.8
[M]- 200.99070858 149.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe