CID 82410594

2-{imidazo[1,2-b]pyridazin-3-yl}acetic acid hydrochloride

Structural Information

Molecular Formula
C8H7N3O2
SMILES
C1=CC2=NC=C(N2N=C1)CC(=O)O
InChI
InChI=1S/C8H7N3O2/c12-8(13)4-6-5-9-7-2-1-3-10-11(6)7/h1-3,5H,4H2,(H,12,13)
InChIKey
QLXGNMZFPKQPSZ-UHFFFAOYSA-N
Compound name
2-imidazo[1,2-b]pyridazin-3-ylacetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

177.05383 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.06111 133.7
[M+Na]+ 200.04305 144.4
[M-H]- 176.04655 133.8
[M+NH4]+ 195.08765 152.0
[M+K]+ 216.01699 141.6
[M+H-H2O]+ 160.05109 126.3
[M+HCOO]- 222.05203 154.9
[M+CH3COO]- 236.06768 176.3
[M+Na-2H]- 198.02850 141.6
[M]+ 177.05328 135.9
[M]- 177.05438 135.9
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.