CID 86721976

Methyl 2-(6-bromo-3-pyridyl)acetate

Structural Information

Molecular Formula
C8H8BrNO2
SMILES
COC(=O)CC1=CN=C(C=C1)Br
InChI
InChI=1S/C8H8BrNO2/c1-12-8(11)4-6-2-3-7(9)10-5-6/h2-3,5H,4H2,1H3
InChIKey
MUDOEYLAOIEGRI-UHFFFAOYSA-N
Compound name
methyl 2-(6-bromo-3-pyridinyl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

38
Patents

228.97385 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.981126 137.7
[M+Na]+ 251.963068 149.5
[M-H]- 227.966574 142.9
[M+NH4]+ 247.007673 158.2
[M+K]+ 267.937008 139.6
[M+H-H2O]+ 211.971110 137.4
[M+HCOO]- 273.972051 158.5
[M+CH3COO]- 287.987701 185.7
[M+Na-2H]- 249.948516 145.7
[M]+ 228.97330142 158.1
[M]- 228.97439858 158.1
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