CID 23034656

1-(prop-2-enoyl)pyrrolidine-3-carboxylicacid

Structural Information

Molecular Formula

C₈H₁₁NO₃

SMILES

C=CC(=O)N1CCC(C1)C(=O)O

InChI

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

InChIKey

WAQCGNDULBMNQJ-UHFFFAOYSA-N

Compound name

1-prop-2-enoylpyrrolidine-3-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 24
Patents: 169.0739 Da
Monoisotopic Mass: 0.0
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	137.8
[M+Na]+	192.06312	145.7
[M+NH4]+	187.10772	143.7
[M+K]+	208.03706	144.1
[M-H]-	168.06662	135.8
[M+Na-2H]-	190.04857	139.2
[M]+	169.07335	137.7
[M]-	169.07445	137.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe