CID 25528774

950037-34-0

Structural Information

Molecular Formula
C11H13N5O2
SMILES
C1CN(CCC1C(=O)O)C2=NN3C=NN=C3C=C2
InChI
InChI=1S/C11H13N5O2/c17-11(18)8-3-5-15(6-4-8)10-2-1-9-13-12-7-16(9)14-10/h1-2,7-8H,3-6H2,(H,17,18)
InChIKey
ZVRDCQSVJVWZLD-UHFFFAOYSA-N
Compound name
1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

247.10692 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.11420 155.3
[M+Na]+ 270.09614 163.7
[M-H]- 246.09964 155.0
[M+NH4]+ 265.14074 167.3
[M+K]+ 286.07008 159.4
[M+H-H2O]+ 230.10418 144.9
[M+HCOO]- 292.10512 169.5
[M+CH3COO]- 306.12077 165.3
[M+Na-2H]- 268.08159 159.7
[M]+ 247.10637 153.0
[M]- 247.10747 153.0
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.