CID 65298366

2-(3,3-dimethyl-2,5-dioxopyrrolidin-1-yl)acetic acid

Structural Information

Molecular Formula
C8H11NO4
SMILES
CC1(CC(=O)N(C1=O)CC(=O)O)C
InChI
InChI=1S/C8H11NO4/c1-8(2)3-5(10)9(7(8)13)4-6(11)12/h3-4H2,1-2H3,(H,11,12)
InChIKey
CRQUSJPUMBMFTN-UHFFFAOYSA-N
Compound name
2-(3,3-dimethyl-2,5-dioxopyrrolidin-1-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

185.0688 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.07608 134.3
[M+Na]+ 208.05802 143.7
[M-H]- 184.06152 135.9
[M+NH4]+ 203.10262 156.2
[M+K]+ 224.03196 142.6
[M+H-H2O]+ 168.06606 130.4
[M+HCOO]- 230.06700 154.7
[M+CH3COO]- 244.08265 178.7
[M+Na-2H]- 206.04347 136.9
[M]+ 185.06825 134.9
[M]- 185.06935 134.9
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

patents stripe