CID 75453942

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

Structural Information

Molecular Formula
C8H13N3O
SMILES
C1CCC(NCC1)C2=NOC=N2
InChI
InChI=1S/C8H13N3O/c1-2-4-7(9-5-3-1)8-10-6-12-11-8/h6-7,9H,1-5H2
InChIKey
PARYBDOLVNBMAW-UHFFFAOYSA-N
Compound name
3-(azepan-2-yl)-1,2,4-oxadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

167.10587 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.113146 132.7
[M+Na]+ 190.095088 136.8
[M-H]- 166.098594 134.8
[M+NH4]+ 185.139693 147.0
[M+K]+ 206.069028 139.0
[M+H-H2O]+ 150.103130 122.8
[M+HCOO]- 212.104071 148.6
[M+CH3COO]- 226.119721 143.5
[M+Na-2H]- 188.080536 137.8
[M]+ 167.10532142 124.8
[M]- 167.10641858 124.8
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.