CID 14876689

1-methyl-2-oxopyrrolidine-3-carboxylic acid

Structural Information

Molecular Formula
C6H9NO3
SMILES
CN1CCC(C1=O)C(=O)O
InChI
InChI=1S/C6H9NO3/c1-7-3-2-4(5(7)8)6(9)10/h4H,2-3H2,1H3,(H,9,10)
InChIKey
LRQXSOWYUQJAOH-UHFFFAOYSA-N
Compound name
1-methyl-2-oxopyrrolidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

74
Patents

143.05824 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.06552 127.1
[M+Na]+ 166.04746 135.2
[M-H]- 142.05096 128.3
[M+NH4]+ 161.09206 148.4
[M+K]+ 182.02140 134.5
[M+H-H2O]+ 126.05550 122.0
[M+HCOO]- 188.05644 147.6
[M+CH3COO]- 202.07209 170.5
[M+Na-2H]- 164.03291 129.6
[M]+ 143.05769 125.4
[M]- 143.05879 125.4
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