CID 75480415

2-(5-methyl-1,2,4-oxadiazol-3-yl)azepane hydrochloride

Structural Information

Molecular Formula
C9H15N3O
SMILES
CC1=NC(=NO1)C2CCCCCN2
InChI
InChI=1S/C9H15N3O/c1-7-11-9(12-13-7)8-5-3-2-4-6-10-8/h8,10H,2-6H2,1H3
InChIKey
YONREVWIEOKSMK-UHFFFAOYSA-N
Compound name
3-(azepan-2-yl)-5-methyl-1,2,4-oxadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

181.1215 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.12878 142.0
[M+Na]+ 204.11072 151.0
[M+NH4]+ 199.15532 148.5
[M+K]+ 220.08466 149.2
[M-H]- 180.11422 143.9
[M+Na-2H]- 202.09617 146.8
[M]+ 181.12095 143.6
[M]- 181.12205 143.6
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.