CID 439417

(3s)-3,6-diaminohexanoic acid

Structural Information

Molecular Formula

C₆H₁₄N₂O₂

SMILES

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

InChI

InChI=1S/C6H14N2O2/c7-3-1-2-5(8)4-6(9)10/h5H,1-4,7-8H2,(H,9,10)/t5-/m0/s1

InChIKey

QKEWQOJCHPFEAF-YFKPBYRVSA-N

Compound name

(3S)-3,6-diaminohexanoic acid

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 13
References: 626
Patents: 146.10553 Da
Monoisotopic Mass: -3.7
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]+	147.11281	132.4
[M+Na]+	169.09475	138.6
[M+NH4]+	164.13935	138.3
[M+K]+	185.06869	135.9
[M-H]-	145.09825	130.8
[M+Na-2H]-	167.08020	133.5
[M]+	146.10498	132.2
[M]-	146.10608	132.2

Literature stripe

literature stripe

Patent stripe

patents stripe