CID 117779

26348-70-9

Structural Information

Molecular Formula

C₇H₁₆N₂O₂

SMILES

COC(=O)[C@H](CCCCN)N

InChI

InChI=1S/C7H16N2O2/c1-11-7(10)6(9)4-2-3-5-8/h6H,2-5,8-9H2,1H3/t6-/m0/s1

InChIKey

KPNBUPJZFJCCIQ-LURJTMIESA-N

Compound name

methyl (2S)-2,6-diaminohexanoate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 70
References: 3218
Patents: 160.12119 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]+	161.12847	138.0
[M+Na]+	183.11041	142.9
[M-H]-	159.11391	137.0
[M+NH4]+	178.15501	157.6
[M+K]+	199.08435	142.9
[M+H-H2O]+	143.11845	132.2
[M+HCOO]-	205.11939	160.9
[M+CH3COO]-	219.13504	182.8
[M+Na-2H]-	181.09586	140.1
[M]+	160.12064	136.7
[M]-	160.12174	136.7

Literature stripe

literature stripe

Patent stripe

patents stripe