CID 82388171

6-bromoindolizine-2-carboxylic acid

Structural Information

Molecular Formula
C9H6BrNO2
SMILES
C1=CC(=CN2C1=CC(=C2)C(=O)O)Br
InChI
InChI=1S/C9H6BrNO2/c10-7-1-2-8-3-6(9(12)13)4-11(8)5-7/h1-5H,(H,12,13)
InChIKey
NJTWQSPKHQNJPH-UHFFFAOYSA-N
Compound name
6-bromoindolizine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

238.95819 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.96547 143.2
[M+Na]+ 261.94741 147.0
[M+NH4]+ 256.99201 147.8
[M+K]+ 277.92135 148.8
[M-H]- 237.95091 142.8
[M+Na-2H]- 259.93286 145.9
[M]+ 238.95764 142.3
[M]- 238.95874 142.3
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