CID 376603

Nsc657614

Structural Information

Molecular Formula
C8H11N3O2
SMILES
C=CCOCN1C=CC(=NC1=O)N
InChI
InChI=1S/C8H11N3O2/c1-2-5-13-6-11-4-3-7(9)10-8(11)12/h2-4H,1,5-6H2,(H2,9,10,12)
InChIKey
OJHJQBBTZLAIQR-UHFFFAOYSA-N
Compound name
4-amino-1-(prop-2-enoxymethyl)pyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

181.08513 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.09241 136.8
[M+Na]+ 204.07435 146.2
[M-H]- 180.07785 137.7
[M+NH4]+ 199.11895 153.9
[M+K]+ 220.04829 143.6
[M+H-H2O]+ 164.08239 129.4
[M+HCOO]- 226.08333 160.3
[M+CH3COO]- 240.09898 182.6
[M+Na-2H]- 202.05980 143.5
[M]+ 181.08458 137.9
[M]- 181.08568 137.9
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.