CID 209490

19951-50-9

Structural Information

Molecular Formula

C₁₂H₂₄N₃O

SMILES

CCCCCCCCCC1=C(ON=[N+]1C)N

InChI

InChI=1S/C12H24N3O/c1-3-4-5-6-7-8-9-10-11-12(13)16-14-15(11)2/h3-10,13H2,1-2H3/q+1

InChIKey

ZIGUREXCRZNZET-UHFFFAOYSA-N

Compound name

3-methyl-4-nonyloxadiazol-3-ium-5-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 226.19194 Da
Monoisotopic Mass: 4.6
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]+	227.19922	156.0
[M+Na]+	249.18116	163.0
[M-H]-	225.18466	157.0
[M+NH4]+	244.22576	171.8
[M+K]+	265.15510	155.8
[M+H-H2O]+	209.18920	150.8
[M+HCOO]-	271.19014	177.0
[M+CH3COO]-	285.20579	187.6
[M+Na-2H]-	247.16661	161.4
[M]+	226.19139	158.3
[M]-	226.19249	158.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe