CID 63769174

3-(6-oxo-1,6-dihydropyrimidin-1-yl)propanoic acid

Structural Information

Molecular Formula
C7H8N2O3
SMILES
C1=CN=CN(C1=O)CCC(=O)O
InChI
InChI=1S/C7H8N2O3/c10-6-1-3-8-5-9(6)4-2-7(11)12/h1,3,5H,2,4H2,(H,11,12)
InChIKey
NHTWRECCLOASMQ-UHFFFAOYSA-N
Compound name
3-(6-oxopyrimidin-1-yl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

168.0535 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.06078 131.3
[M+Na]+ 191.04272 140.3
[M-H]- 167.04622 131.3
[M+NH4]+ 186.08732 148.4
[M+K]+ 207.01666 138.5
[M+H-H2O]+ 151.05076 124.4
[M+HCOO]- 213.05170 152.5
[M+CH3COO]- 227.06735 174.5
[M+Na-2H]- 189.02817 138.3
[M]+ 168.05295 132.3
[M]- 168.05405 132.3
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.