CID 256625

3-methyl-5-oxopyrrolidine-2-carboxylic acid

Structural Information

Molecular Formula
C6H9NO3
SMILES
CC1CC(=O)NC1C(=O)O
InChI
InChI=1S/C6H9NO3/c1-3-2-4(8)7-5(3)6(9)10/h3,5H,2H2,1H3,(H,7,8)(H,9,10)
InChIKey
HPCPEJXLESDEDM-UHFFFAOYSA-N
Compound name
3-methyl-5-oxopyrrolidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

27
Patents

143.05824 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.065516 128.2
[M+Na]+ 166.047458 135.9
[M-H]- 142.050964 127.9
[M+NH4]+ 161.092063 148.8
[M+K]+ 182.021398 134.3
[M+H-H2O]+ 126.055500 123.3
[M+HCOO]- 188.056441 147.2
[M+CH3COO]- 202.072091 168.0
[M+Na-2H]- 164.032906 130.1
[M]+ 143.05769142 124.5
[M]- 143.05878858 124.5
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