CID 3152393

16199-99-8

Structural Information

Molecular Formula

C₈H₁₁NO₃

SMILES

C=CCN1CC(CC1=O)C(=O)O

InChI

InChI=1S/C8H11NO3/c1-2-3-9-5-6(8(11)12)4-7(9)10/h2,6H,1,3-5H2,(H,11,12)

InChIKey

NQPNARIZMOTIPS-UHFFFAOYSA-N

Compound name

5-oxo-1-prop-2-enylpyrrolidine-3-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 52
Patents: 169.0739 Da
Monoisotopic Mass: -0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	170.08118	137.3
[M+Na]+	192.06312	145.9
[M+NH4]+	187.10772	143.3
[M+K]+	208.03706	143.7
[M-H]-	168.06662	135.6
[M+Na-2H]-	190.04857	138.9
[M]+	169.07335	137.5
[M]-	169.07445	137.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe