CID 135415622

2-amino-5-bromo-6-methyl-4-pyrimidinol

Structural Information

Molecular Formula
C5H6BrN3O
SMILES
CC1=C(C(=O)NC(=N1)N)Br
InChI
InChI=1S/C5H6BrN3O/c1-2-3(6)4(10)9-5(7)8-2/h1H3,(H3,7,8,9,10)
InChIKey
ADLWOFHKMXUDKF-UHFFFAOYSA-N
Compound name
2-amino-5-bromo-4-methyl-1H-pyrimidin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

15
References

215
Patents

202.96942 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.97670 129.6
[M+Na]+ 225.95864 143.3
[M-H]- 201.96214 132.6
[M+NH4]+ 221.00324 149.1
[M+K]+ 241.93258 131.2
[M+H-H2O]+ 185.96668 128.9
[M+HCOO]- 247.96762 149.7
[M+CH3COO]- 261.98327 181.6
[M+Na-2H]- 223.94409 137.6
[M]+ 202.96887 146.0
[M]- 202.96997 146.0
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