CID 86775194

1-{1-[(tert-butoxy)carbonyl]piperidin-3-yl}-1h-pyrazole-3-carboxylic acid

Structural Information

Molecular Formula
C14H21N3O4
SMILES
CC(C)(C)OC(=O)N1CCCC(C1)N2C=CC(=N2)C(=O)O
InChI
InChI=1S/C14H21N3O4/c1-14(2,3)21-13(20)16-7-4-5-10(9-16)17-8-6-11(15-17)12(18)19/h6,8,10H,4-5,7,9H2,1-3H3,(H,18,19)
InChIKey
VWQWGHVXURBZQG-UHFFFAOYSA-N
Compound name
1-[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

295.1532 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.16048 169.7
[M+Na]+ 318.14242 174.7
[M-H]- 294.14592 170.8
[M+NH4]+ 313.18702 181.8
[M+K]+ 334.11636 173.1
[M+H-H2O]+ 278.15046 161.5
[M+HCOO]- 340.15140 182.7
[M+CH3COO]- 354.16705 197.8
[M+Na-2H]- 316.12787 169.3
[M]+ 295.15265 168.1
[M]- 295.15375 168.1
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.