CID 54237758

63942-67-6

Structural Information

Molecular Formula
C6H7NO4
SMILES
CN1[C@@H](C(=O)CC1=O)C(=O)O
InChI
InChI=1S/C6H7NO4/c1-7-4(9)2-3(8)5(7)6(10)11/h5H,2H2,1H3,(H,10,11)/t5-/m0/s1
InChIKey
QNTZBHXBKRWIQA-YFKPBYRVSA-N
Compound name
(2S)-1-methyl-3,5-dioxopyrrolidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

157.0375 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.044776 127.3
[M+Na]+ 180.026718 136.6
[M-H]- 156.030224 128.9
[M+NH4]+ 175.071323 148.2
[M+K]+ 196.000658 135.8
[M+H-H2O]+ 140.034760 122.5
[M+HCOO]- 202.035701 148.3
[M+CH3COO]- 216.051351 173.1
[M+Na-2H]- 178.012166 129.3
[M]+ 157.03695142 126.8
[M]- 157.03804858 126.8
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.