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]+ 186.07608 135.5
[M+Na]+ 208.05802 144.9
[M-H]- 184.06152 137.2
[M+NH4]+ 203.10262 155.7
[M+K]+ 224.03196 143.6
[M+H-H2O]+ 168.06606 130.8
[M+HCOO]- 230.06700 155.8
[M+CH3COO]- 244.08265 180.4
[M+Na-2H]- 206.04347 135.9
[M]+ 185.06825 136.1
[M]- 185.06935 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.