CID 122155900

Rac-(2r,3r)-1-cyclopropyl-2-(1,5-dimethyl-1h-pyrazol-4-yl)-5-oxopyrrolidine-3-carboxylic acid

Structural Information

Molecular Formula
C13H17N3O3
SMILES
CC1=C(C=NN1C)[C@@H]2[C@H](CC(=O)N2C3CC3)C(=O)O
InChI
InChI=1S/C13H17N3O3/c1-7-10(6-14-15(7)2)12-9(13(18)19)5-11(17)16(12)8-3-4-8/h6,8-9,12H,3-5H2,1-2H3,(H,18,19)/t9-,12-/m0/s1
InChIKey
NUZLYZNATGMPOK-CABZTGNLSA-N
Compound name
(2S,3S)-1-cyclopropyl-2-(1,5-dimethylpyrazol-4-yl)-5-oxopyrrolidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

263.12698 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.13426 164.5
[M+Na]+ 286.11620 175.1
[M-H]- 262.11970 170.6
[M+NH4]+ 281.16080 175.6
[M+K]+ 302.09014 169.6
[M+H-H2O]+ 246.12424 157.4
[M+HCOO]- 308.12518 182.4
[M+CH3COO]- 322.14083 198.2
[M+Na-2H]- 284.10165 160.9
[M]+ 263.12643 166.9
[M]- 263.12753 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.