CID 207232

29396-22-3

Structural Information

Molecular Formula

C₉H₁₆N₃O

SMILES

CC1=C(ON=[N+]1C2CCCCC2)N

InChI

InChI=1S/C9H16N3O/c1-7-9(10)13-11-12(7)8-5-3-2-4-6-8/h8H,2-6,10H2,1H3/q+1

InChIKey

XVRYMGOHLXDXMN-UHFFFAOYSA-N

Compound name

3-cyclohexyl-4-methyloxadiazol-3-ium-5-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 182.12933 Da
Monoisotopic Mass: 2.3
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]+	183.13661	140.1
[M+Na]+	205.11855	146.7
[M-H]-	181.12205	144.4
[M+NH4]+	200.16315	157.0
[M+K]+	221.09249	140.1
[M+H-H2O]+	165.12659	134.9
[M+HCOO]-	227.12753	159.4
[M+CH3COO]-	241.14318	175.0
[M+Na-2H]-	203.10400	146.5
[M]+	182.12878	134.8
[M]-	182.12988	134.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe