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-bromopyridin-2-yl)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]+ 241.98113 144.1
[M+Na]+ 263.96307 157.5
[M-H]- 239.96657 152.0
[M+NH4]+ 259.00767 160.7
[M+K]+ 279.93701 146.6
[M+H-H2O]+ 223.97111 144.3
[M+HCOO]- 285.97205 163.5
[M+CH3COO]- 299.98770 188.0
[M+Na-2H]- 261.94852 152.2
[M]+ 240.97330 164.0
[M]- 240.97440 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.