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]+ 264.134256 164.5
[M+Na]+ 286.116198 175.1
[M-H]- 262.119704 170.6
[M+NH4]+ 281.160803 175.6
[M+K]+ 302.090138 169.6
[M+H-H2O]+ 246.124240 157.4
[M+HCOO]- 308.125181 182.4
[M+CH3COO]- 322.140831 198.2
[M+Na-2H]- 284.101646 160.9
[M]+ 263.12643142 166.9
[M]- 263.12752858 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.