CID 205653

18430-30-3

Structural Information

Molecular Formula

C₁₀H₂₀N₃O

SMILES

CCCCCCC(C)[N+]1=NOC(=C1)N

InChI

InChI=1S/C10H20N3O/c1-3-4-5-6-7-9(2)13-8-10(11)14-12-13/h8-9H,3-7,11H2,1-2H3/q+1

InChIKey

ORENVLBHHFVFCQ-UHFFFAOYSA-N

Compound name

3-octan-2-yloxadiazol-3-ium-5-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 198.16064 Da
Monoisotopic Mass: 3.4
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]+	199.16792	147.3
[M+Na]+	221.14986	153.9
[M-H]-	197.15336	148.4
[M+NH4]+	216.19446	163.8
[M+K]+	237.12380	147.8
[M+H-H2O]+	181.15790	142.3
[M+HCOO]-	243.15884	168.0
[M+CH3COO]-	257.17449	181.1
[M+Na-2H]-	219.13531	153.3
[M]+	198.16009	147.9
[M]-	198.16119	147.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe