CID 97726120

Potassium 1-(3-bromopyridin-2-yl)cyclopropane-1-carboxylate

Structural Information

Molecular Formula
C9H8BrNO2
SMILES
C1CC1(C2=C(C=CC=N2)Br)C(=O)O
InChI
InChI=1S/C9H8BrNO2/c10-6-2-1-5-11-7(6)9(3-4-9)8(12)13/h1-2,5H,3-4H2,(H,12,13)
InChIKey
HJQZOZKOVNPBMA-UHFFFAOYSA-N
Compound name
1-(3-bromo-2-pyridinyl)cyclopropane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

240.97385 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.981126 144.1
[M+Na]+ 263.963068 157.5
[M-H]- 239.966574 152.0
[M+NH4]+ 259.007673 160.7
[M+K]+ 279.937008 146.6
[M+H-H2O]+ 223.971110 144.3
[M+HCOO]- 285.972051 163.5
[M+CH3COO]- 299.987701 188.0
[M+Na-2H]- 261.948516 152.2
[M]+ 240.97330142 164.0
[M]- 240.97439858 164.0
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

No patent data available for this compound.