CID 2849426

91417-81-1

Structural Information

Molecular Formula

C₈H₁₄N₂O₂

SMILES

C1CC(=NC1)NCCCC(=O)O

InChI

InChI=1S/C8H14N2O2/c11-8(12)4-2-6-10-7-3-1-5-9-7/h1-6H2,(H,9,10)(H,11,12)

InChIKey

QULCKHMPMVBGSB-UHFFFAOYSA-N

Compound name

4-(3,4-dihydro-2H-pyrrol-5-ylamino)butanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 11
References: 0
Patents: 170.10553 Da
Monoisotopic Mass: -0.6
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]+	171.11281	138.4
[M+Na]+	193.09475	146.2
[M+NH4]+	188.13935	145.1
[M+K]+	209.06869	143.5
[M-H]-	169.09825	137.9
[M+Na-2H]-	191.08020	141.7
[M]+	170.10498	138.8
[M]-	170.10608	138.8

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.