CID 13653495

Prolyllysine

Structural Information

Molecular Formula

C₁₁H₂₁N₃O₃

SMILES

C1CC(NC1)C(=O)NC(CCCCN)C(=O)O

InChI

InChI=1S/C11H21N3O3/c12-6-2-1-4-9(11(16)17)14-10(15)8-5-3-7-13-8/h8-9,13H,1-7,12H2,(H,14,15)(H,16,17)

InChIKey

RVQDZELMXZRSSI-UHFFFAOYSA-N

Compound name

6-amino-2-(pyrrolidine-2-carbonylamino)hexanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 110
Patents: 243.1583 Da
Monoisotopic Mass: -4.0
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]+	244.16558	158.8
[M+Na]+	266.14752	160.1
[M-H]-	242.15102	156.5
[M+NH4]+	261.19212	173.6
[M+K]+	282.12146	158.2
[M+H-H2O]+	226.15556	151.3
[M+HCOO]-	288.15650	175.6
[M+CH3COO]-	302.17215	191.7
[M+Na-2H]-	264.13297	156.9
[M]+	243.15775	152.3
[M]-	243.15885	152.3

Literature stripe

literature stripe

Patent stripe

patents stripe