CID 95826384

1211518-74-9

Structural Information

Molecular Formula
C15H23N3O4
SMILES
CC(C)(C)OC(=O)N1CCC(CC1)CN2C=C(C=N2)C(=O)O
InChI
InChI=1S/C15H23N3O4/c1-15(2,3)22-14(21)17-6-4-11(5-7-17)9-18-10-12(8-16-18)13(19)20/h8,10-11H,4-7,9H2,1-3H3,(H,19,20)
InChIKey
YGCYOCICFPWHNN-UHFFFAOYSA-N
Compound name
1-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methyl]pyrazole-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

309.16885 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.17613 174.1
[M+Na]+ 332.15807 178.7
[M-H]- 308.16157 175.0
[M+NH4]+ 327.20267 185.7
[M+K]+ 348.13201 176.9
[M+H-H2O]+ 292.16611 165.8
[M+HCOO]- 354.16705 186.8
[M+CH3COO]- 368.18270 200.7
[M+Na-2H]- 330.14352 173.2
[M]+ 309.16830 172.9
[M]- 309.16940 172.9
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.