CID 4777956

1-cyclopentyl-5-oxopyrrolidine-3-carboxylic acid

Structural Information

Molecular Formula
C10H15NO3
SMILES
C1CCC(C1)N2CC(CC2=O)C(=O)O
InChI
InChI=1S/C10H15NO3/c12-9-5-7(10(13)14)6-11(9)8-3-1-2-4-8/h7-8H,1-6H2,(H,13,14)
InChIKey
DZQZKPNTCXAUKJ-UHFFFAOYSA-N
Compound name
1-cyclopentyl-5-oxopyrrolidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

0
Patents

197.1052 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.11248 145.0
[M+Na]+ 220.09442 150.4
[M-H]- 196.09792 148.6
[M+NH4]+ 215.13902 165.3
[M+K]+ 236.06836 148.8
[M+H-H2O]+ 180.10246 139.0
[M+HCOO]- 242.10340 163.5
[M+CH3COO]- 256.11905 179.4
[M+Na-2H]- 218.07987 143.3
[M]+ 197.10465 140.1
[M]- 197.10575 140.1
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

No patent data available for this compound.