CID 3016409

1-butyl-5-oxopyrrolidine-3-carboxylic acid

Structural Information

Molecular Formula
C9H15NO3
SMILES
CCCCN1CC(CC1=O)C(=O)O
InChI
InChI=1S/C9H15NO3/c1-2-3-4-10-6-7(9(12)13)5-8(10)11/h7H,2-6H2,1H3,(H,12,13)
InChIKey
LLPSQGIRADJCIU-UHFFFAOYSA-N
Compound name
1-butyl-5-oxopyrrolidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

55
Patents

185.1052 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.11248 142.2
[M+Na]+ 208.09442 150.5
[M+NH4]+ 203.13902 148.4
[M+K]+ 224.06836 148.3
[M-H]- 184.09792 140.7
[M+Na-2H]- 206.07987 143.6
[M]+ 185.10465 142.5
[M]- 185.10575 142.5
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