CID 53488066

1706446-22-1

Structural Information

Molecular Formula
C13H19N3O4
SMILES
CC(C)(C)OC(=O)N1CCC2=NN(C(=C2C1)C(=O)O)C
InChI
InChI=1S/C13H19N3O4/c1-13(2,3)20-12(19)16-6-5-9-8(7-16)10(11(17)18)15(4)14-9/h5-7H2,1-4H3,(H,17,18)
InChIKey
WGLMMFQNSHAYSW-UHFFFAOYSA-N
Compound name
2-methyl-5-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

281.13754 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.14482 164.3
[M+Na]+ 304.12676 172.6
[M+NH4]+ 299.17136 168.6
[M+K]+ 320.10070 172.5
[M-H]- 280.13026 161.0
[M+Na-2H]- 302.11221 164.5
[M]+ 281.13699 164.1
[M]- 281.13809 164.1
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.