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 141.4
[M+Na]+ 266.97396 152.7
[M-H]- 242.97746 143.9
[M+NH4]+ 262.01856 159.3
[M+K]+ 282.94790 141.6
[M+H-H2O]+ 226.98200 140.4
[M+HCOO]- 288.98294 159.6
[M+CH3COO]- 302.99859 186.5
[M+Na-2H]- 264.95941 149.0
[M]+ 243.98419 160.6
[M]- 243.98529 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.