CID 146037633

Ns00066872

Structural Information

Molecular Formula
C8H13N3O2
SMILES
CC1=C(C(=O)NC(=N1)N(C)C)CO
InChI
InChI=1S/C8H13N3O2/c1-5-6(4-12)7(13)10-8(9-5)11(2)3/h12H,4H2,1-3H3,(H,9,10,13)
InChIKey
DLLFUNDBYAKSTR-UHFFFAOYSA-N
Compound name
2-(dimethylamino)-5-(hydroxymethyl)-4-methyl-1H-pyrimidin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

183.10077 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.10805 138.6
[M+Na]+ 206.08999 148.0
[M-H]- 182.09349 139.2
[M+NH4]+ 201.13459 155.6
[M+K]+ 222.06393 145.9
[M+H-H2O]+ 166.09803 131.7
[M+HCOO]- 228.09897 160.0
[M+CH3COO]- 242.11462 183.7
[M+Na-2H]- 204.07544 143.8
[M]+ 183.10022 139.3
[M]- 183.10132 139.3
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

No patent data available for this compound.