CID 45791675

1159835-39-8

Structural Information

Molecular Formula
C14H21N3O4
SMILES
CC(C)(C)OC(=O)N1CCC(CC1)(C(=O)O)N2C=CC=N2
InChI
InChI=1S/C14H21N3O4/c1-13(2,3)21-12(20)16-9-5-14(6-10-16,11(18)19)17-8-4-7-15-17/h4,7-8H,5-6,9-10H2,1-3H3,(H,18,19)
InChIKey
WPLWDUSUZDMDDB-UHFFFAOYSA-N
Compound name
1-[(2-methylpropan-2-yl)oxycarbonyl]-4-pyrazol-1-ylpiperidine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

295.1532 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.16048 167.4
[M+Na]+ 318.14242 174.9
[M+NH4]+ 313.18702 172.8
[M+K]+ 334.11636 172.8
[M-H]- 294.14592 165.4
[M+Na-2H]- 316.12787 171.4
[M]+ 295.15265 167.5
[M]- 295.15375 167.5
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

patents stripe