CID 75355350

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

Structural Information

Molecular Formula
C6H9NO3
SMILES
CC1(CC(=O)NC1)C(=O)O
InChI
InChI=1S/C6H9NO3/c1-6(5(9)10)2-4(8)7-3-6/h2-3H2,1H3,(H,7,8)(H,9,10)
InChIKey
XPAICKDCJOJELF-UHFFFAOYSA-N
Compound name
3-methyl-5-oxopyrrolidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

41
Patents

143.05824 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.06552 127.9
[M+Na]+ 166.04746 135.6
[M-H]- 142.05096 127.6
[M+NH4]+ 161.09206 150.2
[M+K]+ 182.02140 134.1
[M+H-H2O]+ 126.05550 123.7
[M+HCOO]- 188.05644 146.9
[M+CH3COO]- 202.07209 166.4
[M+Na-2H]- 164.03291 131.8
[M]+ 143.05769 124.2
[M]- 143.05879 124.2
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