CID 83899956

1781563-64-1

Structural Information

Molecular Formula
C8H9BrN2O2
SMILES
C1CCN2C(=NC(=C2C(=O)O)Br)C1
InChI
InChI=1S/C8H9BrN2O2/c9-7-6(8(12)13)11-4-2-1-3-5(11)10-7/h1-4H2,(H,12,13)
InChIKey
MYPSYSIOCDPXTP-UHFFFAOYSA-N
Compound name
2-bromo-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

243.98474 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.992016 145.3
[M+Na]+ 266.973958 156.8
[M-H]- 242.977464 148.7
[M+NH4]+ 262.018563 166.0
[M+K]+ 282.947898 146.2
[M+H-H2O]+ 226.982000 145.2
[M+HCOO]- 288.982941 161.4
[M+CH3COO]- 302.998591 185.9
[M+Na-2H]- 264.959406 150.5
[M]+ 243.98419142 161.8
[M]- 243.98528858 161.8
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.