CID 137928820

2260917-96-0

Structural Information

Molecular Formula
C8H11NO4
SMILES
C[C@@H]1[C@@H](C(=O)N(C1=O)CC(=O)O)C
InChI
InChI=1S/C8H11NO4/c1-4-5(2)8(13)9(7(4)12)3-6(10)11/h4-5H,3H2,1-2H3,(H,10,11)/t4-,5+
InChIKey
HKLUUCPPHRXGEY-SYDPRGILSA-N
Compound name
2-[(3R,4S)-3,4-dimethyl-2,5-dioxopyrrolidin-1-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

185.0688 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.076076 135.5
[M+Na]+ 208.058018 144.9
[M-H]- 184.061524 137.2
[M+NH4]+ 203.102623 155.7
[M+K]+ 224.031958 143.6
[M+H-H2O]+ 168.066060 130.8
[M+HCOO]- 230.067001 155.8
[M+CH3COO]- 244.082651 180.4
[M+Na-2H]- 206.043466 135.9
[M]+ 185.06825142 136.1
[M]- 185.06934858 136.1
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.