CID 5152885

3-(pyrimidin-2-yl)propanoic acid

Structural Information

Molecular Formula
C7H8N2O2
SMILES
C1=CN=C(N=C1)CCC(=O)O
InChI
InChI=1S/C7H8N2O2/c10-7(11)3-2-6-8-4-1-5-9-6/h1,4-5H,2-3H2,(H,10,11)
InChIKey
UXTNNDRHOGJJFE-UHFFFAOYSA-N
Compound name
3-pyrimidin-2-ylpropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

210
Patents

152.05858 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.065856 129.7
[M+Na]+ 175.047798 137.5
[M-H]- 151.051304 129.2
[M+NH4]+ 170.092403 147.2
[M+K]+ 191.021738 135.8
[M+H-H2O]+ 135.055840 122.6
[M+HCOO]- 197.056781 150.5
[M+CH3COO]- 211.072431 172.0
[M+Na-2H]- 173.033246 137.4
[M]+ 152.05803142 129.5
[M]- 152.05912858 129.5
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

patents stripe