CID 136589548

2307735-99-3

Structural Information

Molecular Formula
C10H13N3O3
SMILES
CN1C=CN=C1[C@@H]2[C@H](CC(=O)N2C)C(=O)O
InChI
InChI=1S/C10H13N3O3/c1-12-4-3-11-9(12)8-6(10(15)16)5-7(14)13(8)2/h3-4,6,8H,5H2,1-2H3,(H,15,16)/t6-,8-/m0/s1
InChIKey
LBYNVQSMUYOQHC-XPUUQOCRSA-N
Compound name
(2S,3S)-1-methyl-2-(1-methylimidazol-2-yl)-5-oxopyrrolidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

223.09569 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.10297 148.4
[M+Na]+ 246.08491 157.6
[M-H]- 222.08841 150.9
[M+NH4]+ 241.12951 165.8
[M+K]+ 262.05885 155.5
[M+H-H2O]+ 206.09295 141.2
[M+HCOO]- 268.09389 167.3
[M+CH3COO]- 282.10954 186.7
[M+Na-2H]- 244.07036 147.0
[M]+ 223.09514 148.3
[M]- 223.09624 148.3
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.