CID 130047343

1315363-94-0

Structural Information

Molecular Formula
C9H6N4O2
SMILES
C1=CC2=NC(=CN2N=C1C#N)CC(=O)O
InChI
InChI=1S/C9H6N4O2/c10-4-6-1-2-8-11-7(3-9(14)15)5-13(8)12-6/h1-2,5H,3H2,(H,14,15)
InChIKey
VQKFUSJHDXPSKA-UHFFFAOYSA-N
Compound name
2-(6-cyanoimidazo[1,2-b]pyridazin-2-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

202.04907 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.056346 140.9
[M+Na]+ 225.038288 152.9
[M-H]- 201.041794 139.7
[M+NH4]+ 220.082893 155.9
[M+K]+ 241.012228 148.7
[M+H-H2O]+ 185.046330 126.1
[M+HCOO]- 247.047271 157.7
[M+CH3COO]- 261.062921 193.9
[M+Na-2H]- 223.023736 146.6
[M]+ 202.04852142 137.8
[M]- 202.04961858 137.8
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.