CID 440169

(2r,4s)-2,4-diaminopentanoic acid

Structural Information

Molecular Formula

C₅H₁₂N₂O₂

SMILES

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

InChI

InChI=1S/C5H12N2O2/c1-3(6)2-4(7)5(8)9/h3-4H,2,6-7H2,1H3,(H,8,9)/t3-,4+/m0/s1

InChIKey

PCEJMSIIDXUDSN-IUYQGCFVSA-N

Compound name

(2R,4S)-2,4-diaminopentanoic acid

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 3
References: 11
Patents: 132.08987 Da
Monoisotopic Mass: -3.5
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]+	133.09715	129.9
[M+Na]+	155.07909	134.9
[M-H]-	131.08259	127.9
[M+NH4]+	150.12369	149.7
[M+K]+	171.05303	135.0
[M+H-H2O]+	115.08713	124.7
[M+HCOO]-	177.08807	150.8
[M+CH3COO]-	191.10372	175.9
[M+Na-2H]-	153.06454	131.1
[M]+	132.08932	125.3
[M]-	132.09042	125.3

Literature stripe

literature stripe

Patent stripe

patents stripe