CID 19371949

1-ethylpyrrolidine-2-carboxylic acid

Structural Information

Molecular Formula
C7H13NO2
SMILES
CCN1CCCC1C(=O)O
InChI
InChI=1S/C7H13NO2/c1-2-8-5-3-4-6(8)7(9)10/h6H,2-5H2,1H3,(H,9,10)
InChIKey
YNXFKYXSWNIWGO-UHFFFAOYSA-N
Compound name
1-ethylpyrrolidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

362
Patents

143.09464 Da
Monoisotopic Mass

-1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.101916 131.1
[M+Na]+ 166.083858 137.7
[M-H]- 142.087364 131.7
[M+NH4]+ 161.128463 152.3
[M+K]+ 182.057798 136.9
[M+H-H2O]+ 126.091900 125.5
[M+HCOO]- 188.092841 150.9
[M+CH3COO]- 202.108491 171.2
[M+Na-2H]- 164.069306 133.6
[M]+ 143.09409142 128.6
[M]- 143.09518858 128.6
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