CID 57481190

Methyl 2-(5-bromopyridin-2-yl)-2-methylpropanoate

Structural Information

Molecular Formula
C10H12BrNO2
SMILES
CC(C)(C1=NC=C(C=C1)Br)C(=O)OC
InChI
InChI=1S/C10H12BrNO2/c1-10(2,9(13)14-3)8-5-4-7(11)6-12-8/h4-6H,1-3H3
InChIKey
XMMLLFLMLQPLAD-UHFFFAOYSA-N
Compound name
methyl 2-(5-bromopyridin-2-yl)-2-methylpropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

78
Patents

257.00513 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.01241 147.1
[M+Na]+ 279.99435 149.9
[M+NH4]+ 275.03895 150.9
[M+K]+ 295.96829 151.0
[M-H]- 255.99785 146.2
[M+Na-2H]- 277.97980 150.2
[M]+ 257.00458 146.0
[M]- 257.00568 146.0
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