CID 122155900

1969288-56-9

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 163.0
[M+Na]+ 286.11620 174.2
[M+NH4]+ 281.16080 169.2
[M+K]+ 302.09014 175.1
[M-H]- 262.11970 170.6
[M+Na-2H]- 284.10165 168.3
[M]+ 263.12643 167.5
[M]- 263.12753 167.5
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.