CID 18649403

(2s)-1-methyl-5-oxopyrrolidine-2-carboxylic acid

Structural Information

Molecular Formula
C6H9NO3
SMILES
CN1[C@@H](CCC1=O)C(=O)O
InChI
InChI=1S/C6H9NO3/c1-7-4(6(9)10)2-3-5(7)8/h4H,2-3H2,1H3,(H,9,10)/t4-/m0/s1
InChIKey
SHLYZEAOVWVTSW-BYPYZUCNSA-N
Compound name
(2S)-1-methyl-5-oxopyrrolidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

328
Patents

143.05824 Da
Monoisotopic Mass

-0.6
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

literature stripe

Patent stripe

patents stripe