CID 122766

42346-68-9

Structural Information

Molecular Formula
C6H9NO3
SMILES
CN1CC(CC1=O)C(=O)O
InChI
InChI=1S/C6H9NO3/c1-7-3-4(6(9)10)2-5(7)8/h4H,2-3H2,1H3,(H,9,10)
InChIKey
YHDZDIPQCVCIJS-UHFFFAOYSA-N
Compound name
1-methyl-5-oxopyrrolidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

693
Patents

143.05824 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.06552 129.1
[M+Na]+ 166.04746 138.0
[M+NH4]+ 161.09206 135.7
[M+K]+ 182.02140 136.4
[M-H]- 142.05096 127.7
[M+Na-2H]- 164.03291 131.3
[M]+ 143.05769 129.4
[M]- 143.05879 129.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe