CID 42614460

2305202-73-5

Structural Information

Molecular Formula

C₅H₁₂N₂O₂

SMILES

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

InChI

InChI=1S/C5H12N2O2/c6-2-1-4(7)3-5(8)9/h4H,1-3,6-7H2,(H,8,9)/t4-/m0/s1

InChIKey

UOYNFMVJDVKLNJ-BYPYZUCNSA-N

Compound name

(3S)-3,5-diaminopentanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 46
Patents: 132.08987 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]+	133.097146	129.1
[M+Na]+	155.079088	134.4
[M-H]-	131.082594	127.0
[M+NH4]+	150.123693	149.0
[M+K]+	171.053028	133.9
[M+H-H2O]+	115.087130	123.9
[M+HCOO]-	177.088071	151.1
[M+CH3COO]-	191.103721	174.9
[M+Na-2H]-	153.064536	131.7
[M]+	132.08932142	125.2
[M]-	132.09041858	125.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe