CID 135408695

2-amino-5-(2-hydroxyethyl)-6-methyl-4(3h)-pyrimidinone

Structural Information

Molecular Formula
C7H11N3O2
SMILES
CC1=C(C(=O)NC(=N1)N)CCO
InChI
InChI=1S/C7H11N3O2/c1-4-5(2-3-11)6(12)10-7(8)9-4/h11H,2-3H2,1H3,(H3,8,9,10,12)
InChIKey
OJXFZYFYTJJGFU-UHFFFAOYSA-N
Compound name
2-amino-5-(2-hydroxyethyl)-4-methyl-1H-pyrimidin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

192
Patents

169.08513 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.092406 135.4
[M+Na]+ 192.074348 145.0
[M-H]- 168.077854 134.1
[M+NH4]+ 187.118953 151.9
[M+K]+ 208.048288 141.4
[M+H-H2O]+ 152.082390 128.8
[M+HCOO]- 214.083331 155.9
[M+CH3COO]- 228.098981 176.7
[M+Na-2H]- 190.059796 140.6
[M]+ 169.08458142 133.4
[M]- 169.08567858 133.4
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