CID 57282853

5-aminononanedioic acid hydrochloride

Structural Information

Molecular Formula

C₉H₁₇NO₄

SMILES

C(CC(CCCC(=O)O)N)CC(=O)O

InChI

InChI=1S/C9H17NO4/c10-7(3-1-5-8(11)12)4-2-6-9(13)14/h7H,1-6,10H2,(H,11,12)(H,13,14)

InChIKey

ITINVSAWGGQAOZ-UHFFFAOYSA-N

Compound name

5-aminononanedioic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 203.11575 Da
Monoisotopic Mass: -2.5
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]+	204.12303	147.3
[M+Na]+	226.10497	152.7
[M+NH4]+	221.14957	151.5
[M+K]+	242.07891	150.7
[M-H]-	202.10847	143.4
[M+Na-2H]-	224.09042	146.3
[M]+	203.11520	146.2
[M]-	203.11630	146.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe