CID 122163357

Rac-(2r,3r)-1-ethyl-2-(1-methyl-1h-imidazol-2-yl)-5-oxopyrrolidine-3-carboxylic acid

Structural Information

Molecular Formula
C11H15N3O3
SMILES
CCN1[C@@H]([C@H](CC1=O)C(=O)O)C2=NC=CN2C
InChI
InChI=1S/C11H15N3O3/c1-3-14-8(15)6-7(11(16)17)9(14)10-12-4-5-13(10)2/h4-5,7,9H,3,6H2,1-2H3,(H,16,17)/t7-,9-/m0/s1
InChIKey
CXTHRFCRYAAKIC-CBAPKCEASA-N
Compound name
(2S,3S)-1-ethyl-2-(1-methylimidazol-2-yl)-5-oxopyrrolidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

237.11134 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.11862 152.9
[M+Na]+ 260.10056 161.7
[M-H]- 236.10406 155.2
[M+NH4]+ 255.14516 169.7
[M+K]+ 276.07450 159.3
[M+H-H2O]+ 220.10860 145.5
[M+HCOO]- 282.10954 171.5
[M+CH3COO]- 296.12519 189.7
[M+Na-2H]- 258.08601 151.0
[M]+ 237.11079 153.2
[M]- 237.11189 153.2
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.