CID 44229223

Carboxynorspermidine(2+)

Structural Information

Molecular Formula

C₇H₁₇N₃O₂

SMILES

C(CN)CNCCC(C(=O)O)N

InChI

InChI=1S/C7H17N3O2/c8-3-1-4-10-5-2-6(9)7(11)12/h6,10H,1-5,8-9H2,(H,11,12)

InChIKey

KFJYMJZJSUORBX-UHFFFAOYSA-N

Compound name

2-amino-4-(3-aminopropylamino)butanoic acid

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 22
Patents: 175.13208 Da
Monoisotopic Mass: -4.7
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]+	176.13936	140.3
[M+Na]+	198.12130	144.9
[M+NH4]+	193.16590	145.4
[M+K]+	214.09524	142.4
[M-H]-	174.12480	138.8
[M+Na-2H]-	196.10675	140.7
[M]+	175.13153	139.7
[M]-	175.13263	139.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe