CID 97729250

Lithium(1+) 1-(3-bromopyridin-2-yl)cyclobutane-1-carboxylate

Structural Information

Molecular Formula
C10H10BrNO2
SMILES
C1CC(C1)(C2=C(C=CC=N2)Br)C(=O)O
InChI
InChI=1S/C10H10BrNO2/c11-7-3-1-6-12-8(7)10(9(13)14)4-2-5-10/h1,3,6H,2,4-5H2,(H,13,14)
InChIKey
IYLVPANDCMINMF-UHFFFAOYSA-N
Compound name
1-(3-bromopyridin-2-yl)cyclobutane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

254.98949 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.99677 139.1
[M+Na]+ 277.97871 148.7
[M-H]- 253.98221 145.7
[M+NH4]+ 273.02331 153.5
[M+K]+ 293.95265 141.1
[M+H-H2O]+ 237.98675 134.8
[M+HCOO]- 299.98769 156.5
[M+CH3COO]- 314.00334 190.5
[M+Na-2H]- 275.96416 146.6
[M]+ 254.98894 163.9
[M]- 254.99004 163.9
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.