CID 91654573

1803610-69-6

Structural Information

Molecular Formula
C14H21N3O4
SMILES
CC(C)(C)OC(=O)N1CCCC(C1)C2=C(C=NN2)C(=O)O
InChI
InChI=1S/C14H21N3O4/c1-14(2,3)21-13(20)17-6-4-5-9(8-17)11-10(12(18)19)7-15-16-11/h7,9H,4-6,8H2,1-3H3,(H,15,16)(H,18,19)
InChIKey
VGSGJTQWUGFETH-UHFFFAOYSA-N
Compound name
5-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]-1H-pyrazole-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
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 170.4
[M+Na]+ 318.14242 174.9
[M-H]- 294.14592 170.1
[M+NH4]+ 313.18702 181.8
[M+K]+ 334.11636 172.5
[M+H-H2O]+ 278.15046 162.5
[M+HCOO]- 340.15140 181.9
[M+CH3COO]- 354.16705 195.4
[M+Na-2H]- 316.12787 169.5
[M]+ 295.15265 166.9
[M]- 295.15375 166.9
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.