CID 138991472

2309464-99-9

Structural Information

Molecular Formula
C10H12BrNO2
SMILES
CC(C)(C1=C(C=CC=N1)Br)C(=O)OC
InChI
InChI=1S/C10H12BrNO2/c1-10(2,9(13)14-3)8-7(11)5-4-6-12-8/h4-6H,1-3H3
InChIKey
HLEKPYVMEIIRBB-UHFFFAOYSA-N
Compound name
methyl 2-(3-bromopyridin-2-yl)-2-methylpropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
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 147.7
[M+Na]+ 279.99435 159.2
[M-H]- 255.99785 153.0
[M+NH4]+ 275.03895 167.3
[M+K]+ 295.96829 149.1
[M+H-H2O]+ 240.00239 147.6
[M+HCOO]- 302.00333 166.4
[M+CH3COO]- 316.01898 191.7
[M+Na-2H]- 277.97980 155.3
[M]+ 257.00458 168.4
[M]- 257.00568 168.4
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.