CID 15800938

L-alpha-amino-1h-pyrrole-1-hexanoic acid

Structural Information

Molecular Formula

C₁₀H₁₆N₂O₂

SMILES

C1=CN(C=C1)CCCCC(C(=O)O)N

InChI

InChI=1S/C10H16N2O2/c11-9(10(13)14)5-1-2-6-12-7-3-4-8-12/h3-4,7-9H,1-2,5-6,11H2,(H,13,14)

InChIKey

KVCPIDDKLUDCQJ-UHFFFAOYSA-N

Compound name

2-amino-6-pyrrol-1-ylhexanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 14
Patents: 196.12119 Da
Monoisotopic Mass: -1.9
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]+	197.12847	145.7
[M+Na]+	219.11041	153.3
[M+NH4]+	214.15501	151.8
[M+K]+	235.08435	151.1
[M-H]-	195.11391	145.0
[M+Na-2H]-	217.09586	148.6
[M]+	196.12064	146.0
[M]-	196.12174	146.0

Literature stripe

literature stripe

Patent stripe

patents stripe