CID 67973232

1-(5-bromopyridin-2-yl)cyclobutane-1-carboxylic acid hydrochloride

Structural Information

Molecular Formula
C10H10BrNO2
SMILES
C1CC(C1)(C2=NC=C(C=C2)Br)C(=O)O
InChI
InChI=1S/C10H10BrNO2/c11-7-2-3-8(12-6-7)10(9(13)14)4-1-5-10/h2-3,6H,1,4-5H2,(H,13,14)
InChIKey
OALBQEKDAYWCPU-UHFFFAOYSA-N
Compound name
1-(5-bromopyridin-2-yl)cyclobutane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

36
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 146.2
[M+Na]+ 277.97871 145.4
[M+NH4]+ 273.02331 148.3
[M+K]+ 293.95265 146.1
[M-H]- 253.98221 144.4
[M+Na-2H]- 275.96416 148.9
[M]+ 254.98894 143.5
[M]- 254.99004 143.5
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