CID 46835701

1-cyclobutyl-5-oxopyrrolidine-3-carboxylic acid

Structural Information

Molecular Formula
C9H13NO3
SMILES
C1CC(C1)N2CC(CC2=O)C(=O)O
InChI
InChI=1S/C9H13NO3/c11-8-4-6(9(12)13)5-10(8)7-2-1-3-7/h6-7H,1-5H2,(H,12,13)
InChIKey
GGAIJENHTSZWQA-UHFFFAOYSA-N
Compound name
1-cyclobutyl-5-oxopyrrolidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

183.08954 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.096816 136.1
[M+Na]+ 206.078758 140.7
[M-H]- 182.082264 139.7
[M+NH4]+ 201.123363 148.9
[M+K]+ 222.052698 142.3
[M+H-H2O]+ 166.086800 125.2
[M+HCOO]- 228.087741 153.8
[M+CH3COO]- 242.103391 181.3
[M+Na-2H]- 204.064206 136.6
[M]+ 183.08899142 141.2
[M]- 183.09008858 141.2
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

No patent data available for this compound.