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

0
References

25
Patents

143.05824 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.06552 128.2
[M+Na]+ 166.04746 135.9
[M-H]- 142.05096 127.9
[M+NH4]+ 161.09206 148.8
[M+K]+ 182.02140 134.3
[M+H-H2O]+ 126.05550 123.3
[M+HCOO]- 188.05644 147.2
[M+CH3COO]- 202.07209 168.0
[M+Na-2H]- 164.03291 130.1
[M]+ 143.05769 124.5
[M]- 143.05879 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

No literature data available for this compound.

Patent stripe

patents stripe