CID 154578298

2228527-05-5

Structural Information

Molecular Formula
C8H9BrN2O2
SMILES
C1=C(C=NC(=N1)CCCC(=O)O)Br
InChI
InChI=1S/C8H9BrN2O2/c9-6-4-10-7(11-5-6)2-1-3-8(12)13/h4-5H,1-3H2,(H,12,13)
InChIKey
QDWULLPXEWWARV-UHFFFAOYSA-N
Compound name
4-(5-bromopyrimidin-2-yl)butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

243.98474 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.99202 144.7
[M+Na]+ 266.97396 147.4
[M+NH4]+ 262.01856 147.8
[M+K]+ 282.94790 148.2
[M-H]- 242.97746 143.1
[M+Na-2H]- 264.95941 147.2
[M]+ 243.98419 143.2
[M]- 243.98529 143.2
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.