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]+ 184.09682 136.1
[M+Na]+ 206.07876 140.7
[M-H]- 182.08226 139.7
[M+NH4]+ 201.12336 148.9
[M+K]+ 222.05270 142.3
[M+H-H2O]+ 166.08680 125.2
[M+HCOO]- 228.08774 153.8
[M+CH3COO]- 242.10339 181.3
[M+Na-2H]- 204.06421 136.6
[M]+ 183.08899 141.2
[M]- 183.09009 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.