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

16
Patents

238.95819 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.965466 141.5
[M+Na]+ 261.947408 155.5
[M-H]- 237.950914 147.2
[M+NH4]+ 256.992013 164.0
[M+K]+ 277.921348 144.3
[M+H-H2O]+ 221.955450 142.0
[M+HCOO]- 283.956391 162.6
[M+CH3COO]- 297.972041 185.2
[M+Na-2H]- 259.932856 149.1
[M]+ 238.95764142 161.9
[M]- 238.95873858 161.9
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

patents stripe