CID 53485897

1034976-50-5

Structural Information

Molecular Formula
C14H21N3O4
SMILES
CC(C)(C)OC(=O)N1CCC(CC1)N2C=C(C=N2)C(=O)O
InChI
InChI=1S/C14H21N3O4/c1-14(2,3)21-13(20)16-6-4-11(5-7-16)17-9-10(8-15-17)12(18)19/h8-9,11H,4-7H2,1-3H3,(H,18,19)
InChIKey
XUZBQTPCOHAVQD-UHFFFAOYSA-N
Compound name
1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]pyrazole-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

131
Patents

295.1532 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.160476 169.7
[M+Na]+ 318.142418 174.7
[M-H]- 294.145924 170.8
[M+NH4]+ 313.187023 181.8
[M+K]+ 334.116358 173.1
[M+H-H2O]+ 278.150460 161.5
[M+HCOO]- 340.151401 182.7
[M+CH3COO]- 354.167051 197.8
[M+Na-2H]- 316.127866 169.3
[M]+ 295.15265142 168.1
[M]- 295.15374858 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

patents stripe