CID 408390

25526-81-2

Structural Information

Molecular Formula
C6H8BrN3
SMILES
CC1=NC=C(C(=N1)N)CBr
InChI
InChI=1S/C6H8BrN3/c1-4-9-3-5(2-7)6(8)10-4/h3H,2H2,1H3,(H2,8,9,10)
InChIKey
QWNONVPLJDGJQR-UHFFFAOYSA-N
Compound name
5-(bromomethyl)-2-methylpyrimidin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

200.99016 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.99744 131.6
[M+Na]+ 223.97938 144.4
[M-H]- 199.98288 135.4
[M+NH4]+ 219.02398 151.8
[M+K]+ 239.95332 133.1
[M+H-H2O]+ 183.98742 130.6
[M+HCOO]- 245.98836 152.5
[M+CH3COO]- 260.00401 184.5
[M+Na-2H]- 221.96483 140.5
[M]+ 200.98961 149.2
[M]- 200.99071 149.2
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

No patent data available for this compound.