CID 63379700

1-tert-butyl-2-(1-methyl-1h-pyrazol-4-yl)-5-oxopyrrolidine-3-carboxylic acid

Structural Information

Molecular Formula
C13H19N3O3
SMILES
CC(C)(C)N1C(C(CC1=O)C(=O)O)C2=CN(N=C2)C
InChI
InChI=1S/C13H19N3O3/c1-13(2,3)16-10(17)5-9(12(18)19)11(16)8-6-14-15(4)7-8/h6-7,9,11H,5H2,1-4H3,(H,18,19)
InChIKey
YEHOWNNNRIBDQB-UHFFFAOYSA-N
Compound name
1-tert-butyl-2-(1-methylpyrazol-4-yl)-5-oxopyrrolidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

265.14264 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.14992 161.8
[M+Na]+ 288.13186 170.1
[M+NH4]+ 283.17646 166.3
[M+K]+ 304.10580 171.3
[M-H]- 264.13536 160.0
[M+Na-2H]- 286.11731 163.5
[M]+ 265.14209 162.0
[M]- 265.14319 162.0
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.