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

73
Patents

143.05824 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.065516 127.1
[M+Na]+ 166.047458 135.2
[M-H]- 142.050964 128.3
[M+NH4]+ 161.092063 148.4
[M+K]+ 182.021398 134.5
[M+H-H2O]+ 126.055500 122.0
[M+HCOO]- 188.056441 147.6
[M+CH3COO]- 202.072091 170.5
[M+Na-2H]- 164.032906 129.6
[M]+ 143.05769142 125.4
[M]- 143.05878858 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