CID 25609808

949285-98-7

Structural Information

Molecular Formula
C10H12N6O2
SMILES
C1CN(CCC1C(=O)O)C2=NN3C(=NN=N3)C=C2
InChI
InChI=1S/C10H12N6O2/c17-10(18)7-3-5-15(6-4-7)9-2-1-8-11-13-14-16(8)12-9/h1-2,7H,3-6H2,(H,17,18)
InChIKey
YBTWJKNOMOCPKE-UHFFFAOYSA-N
Compound name
1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

248.10217 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.10945 155.9
[M+Na]+ 271.09139 164.7
[M-H]- 247.09489 154.5
[M+NH4]+ 266.13599 166.5
[M+K]+ 287.06533 160.4
[M+H-H2O]+ 231.09943 145.0
[M+HCOO]- 293.10037 169.1
[M+CH3COO]- 307.11602 165.5
[M+Na-2H]- 269.07684 160.7
[M]+ 248.10162 153.7
[M]- 248.10272 153.7
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.