CID 154578298

4-(5-bromopyrimidin-2-yl)butanoic acid

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]+ 244.992016 141.4
[M+Na]+ 266.973958 152.7
[M-H]- 242.977464 143.9
[M+NH4]+ 262.018563 159.3
[M+K]+ 282.947898 141.6
[M+H-H2O]+ 226.982000 140.4
[M+HCOO]- 288.982941 159.6
[M+CH3COO]- 302.998591 186.5
[M+Na-2H]- 264.959406 149.0
[M]+ 243.98419142 160.6
[M]- 243.98528858 160.6
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.