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 168.8
[M+Na]+ 318.14242 173.9
[M-H]- 294.14592 169.8
[M+NH4]+ 313.18702 182.7
[M+K]+ 334.11636 172.7
[M+H-H2O]+ 278.15046 161.3
[M+HCOO]- 340.15140 181.9
[M+CH3COO]- 354.16705 196.0
[M+Na-2H]- 316.12787 170.5
[M]+ 295.15265 167.2
[M]- 295.15375 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