CID 107984

L-nio

Structural Information

Molecular Formula

C₇H₁₅N₃O₂

SMILES

CC(=NCCC[C@@H](C(=O)O)N)N

InChI

InChI=1S/C7H15N3O2/c1-5(8)10-4-2-3-6(9)7(11)12/h6H,2-4,9H2,1H3,(H2,8,10)(H,11,12)/t6-/m0/s1

InChIKey

UYZFAUAYFLEHRC-LURJTMIESA-N

Compound name

(2S)-2-amino-5-(1-aminoethylideneamino)pentanoic acid

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 187
References: 841
Patents: 173.11642 Da
Monoisotopic Mass: -3.6
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]+	174.12370	140.2
[M+Na]+	196.10564	145.2
[M+NH4]+	191.15024	145.4
[M+K]+	212.07958	143.0
[M-H]-	172.10914	138.8
[M+Na-2H]-	194.09109	140.8
[M]+	173.11587	139.7
[M]-	173.11697	139.7

Literature stripe

literature stripe

Patent stripe

patents stripe