CID 16683102

Isalon

Structural Information

Molecular Formula

C₄H₅AlN₄O₃

SMILES

C1(C(=O)NC(=N1)O[Al])NC(=O)N

InChI

InChI=1S/C4H6N4O3.Al/c5-3(10)6-1-2(9)8-4(11)7-1;/h1H,(H3,5,6,10)(H2,7,8,9,11);/q;+1/p-1

InChIKey

NFIBXOFNLKOBKV-UHFFFAOYSA-M

Compound name

None

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 22
References: 17
Patents: 184.0177 Da
Monoisotopic Mass: None
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]+	185.02498	135.4
[M+Na]+	207.00692	142.3
[M+NH4]+	202.05152	140.1
[M+K]+	222.98086	142.2
[M-H]-	183.01042	133.6
[M+Na-2H]-	204.99237	137.1
[M]+	184.01715	135.0
[M]-	184.01825	135.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.