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

literature stripe

Patent stripe

patents stripe