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]+ 296.160476 170.4
[M+Na]+ 318.142418 174.9
[M-H]- 294.145924 170.1
[M+NH4]+ 313.187023 181.8
[M+K]+ 334.116358 172.5
[M+H-H2O]+ 278.150460 162.5
[M+HCOO]- 340.151401 181.9
[M+CH3COO]- 354.167051 195.4
[M+Na-2H]- 316.127866 169.5
[M]+ 295.15265142 166.9
[M]- 295.15374858 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.