CID 75480416

2-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]azepane hydrochloride

Structural Information

Molecular Formula
C10H17N3O2
SMILES
COCC1=NC(=NO1)C2CCCCCN2
InChI
InChI=1S/C10H17N3O2/c1-14-7-9-12-10(13-15-9)8-5-3-2-4-6-11-8/h8,11H,2-7H2,1H3
InChIKey
VNHALUREALLPEZ-UHFFFAOYSA-N
Compound name
3-(azepan-2-yl)-5-(methoxymethyl)-1,2,4-oxadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

211.13208 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.13936 144.3
[M+Na]+ 234.12130 148.4
[M-H]- 210.12480 146.6
[M+NH4]+ 229.16590 157.2
[M+K]+ 250.09524 150.8
[M+H-H2O]+ 194.12934 134.2
[M+HCOO]- 256.13028 159.8
[M+CH3COO]- 270.14593 154.5
[M+Na-2H]- 232.10675 147.7
[M]+ 211.13153 138.8
[M]- 211.13263 138.8
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.