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

5
Patents

295.1532 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.160476 168.8
[M+Na]+ 318.142418 173.9
[M-H]- 294.145924 169.8
[M+NH4]+ 313.187023 182.7
[M+K]+ 334.116358 172.7
[M+H-H2O]+ 278.150460 161.3
[M+HCOO]- 340.151401 181.9
[M+CH3COO]- 354.167051 196.0
[M+Na-2H]- 316.127866 170.5
[M]+ 295.15265142 167.2
[M]- 295.15374858 167.2
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