CID 207390

29836-64-4

Structural Information

Molecular Formula
C11H20N3O
SMILES
CC(C)C1=C([N+](=NO1)C2CCCCC2)N
InChI
InChI=1S/C11H20N3O/c1-8(2)10-11(12)14(13-15-10)9-6-4-3-5-7-9/h8-9H,3-7,12H2,1-2H3/q+1
InChIKey
POCJBKSWELKOPC-UHFFFAOYSA-N
Compound name
3-cyclohexyl-5-propan-2-yloxadiazol-3-ium-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

210.16064 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.16792 149.8
[M+Na]+ 233.14986 155.2
[M-H]- 209.15336 153.8
[M+NH4]+ 228.19446 165.5
[M+K]+ 249.12380 148.6
[M+H-H2O]+ 193.15790 144.3
[M+HCOO]- 255.15884 167.4
[M+CH3COO]- 269.17449 181.9
[M+Na-2H]- 231.13531 153.9
[M]+ 210.16009 144.5
[M]- 210.16119 144.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.