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-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]pyrazole-3-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]+ 310.17613 173.8
[M+Na]+ 332.15807 179.4
[M-H]- 308.16157 175.2
[M+NH4]+ 327.20267 185.7
[M+K]+ 348.13201 177.6
[M+H-H2O]+ 292.16611 165.9
[M+HCOO]- 354.16705 186.5
[M+CH3COO]- 368.18270 202.0
[M+Na-2H]- 330.14352 172.3
[M]+ 309.16830 173.1
[M]- 309.16940 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.