CID 131407565

2091694-00-5

Structural Information

Molecular Formula
C15H23N3O4
SMILES
CC1=C(N(N=C1)C2CCCN(C2)C(=O)OC(C)(C)C)C(=O)O
InChI
InChI=1S/C15H23N3O4/c1-10-8-16-18(12(10)13(19)20)11-6-5-7-17(9-11)14(21)22-15(2,3)4/h8,11H,5-7,9H2,1-4H3,(H,19,20)
InChIKey
KYTVISSNWZUDKE-UHFFFAOYSA-N
Compound name
4-methyl-1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]pyrazole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

309.16885 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.176126 173.8
[M+Na]+ 332.158068 179.4
[M-H]- 308.161574 175.2
[M+NH4]+ 327.202673 185.7
[M+K]+ 348.132008 177.6
[M+H-H2O]+ 292.166110 165.9
[M+HCOO]- 354.167051 186.5
[M+CH3COO]- 368.182701 202.0
[M+Na-2H]- 330.143516 172.3
[M]+ 309.16830142 173.1
[M]- 309.16939858 173.1
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.