CID 2761529

290835-83-5

Structural Information

Molecular Formula

C₇H₁₆N₂O₂

SMILES

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

InChI

InChI=1S/C7H16N2O2/c8-4-2-1-3-6(9)5-7(10)11/h6H,1-5,8-9H2,(H,10,11)/t6-/m0/s1

InChIKey

PJDINCOFOROBQW-LURJTMIESA-N

Compound name

(3S)-3,7-diaminoheptanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1059
Patents: 160.12119 Da
Monoisotopic Mass: -3.3
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	136.8
[M+Na]+	183.11041	142.8
[M+NH4]+	178.15501	142.6
[M+K]+	199.08435	139.8
[M-H]-	159.11391	135.2
[M+Na-2H]-	181.09586	137.6
[M]+	160.12064	136.5
[M]-	160.12174	136.5

Literature stripe

literature stripe

Patent stripe

patents stripe