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]+ 203.05635 140.9
[M+Na]+ 225.03829 152.9
[M-H]- 201.04179 139.7
[M+NH4]+ 220.08289 155.9
[M+K]+ 241.01223 148.7
[M+H-H2O]+ 185.04633 126.1
[M+HCOO]- 247.04727 157.7
[M+CH3COO]- 261.06292 193.9
[M+Na-2H]- 223.02374 146.6
[M]+ 202.04852 137.8
[M]- 202.04962 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.