CID 125424983

1-(3-methyl-1,2,4-oxadiazol-5-yl)-2-azabicyclo[2.1.1]hexane hydrochloride

Structural Information

Molecular Formula
C8H11N3O
SMILES
CC1=NOC(=N1)C23CC(C2)CN3
InChI
InChI=1S/C8H11N3O/c1-5-10-7(12-11-5)8-2-6(3-8)4-9-8/h6,9H,2-4H2,1H3
InChIKey
CHNGOFGRHYSJBV-UHFFFAOYSA-N
Compound name
5-(2-azabicyclo[2.1.1]hexan-1-yl)-3-methyl-1,2,4-oxadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

165.09021 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.09749 131.4
[M+Na]+ 188.07943 139.3
[M-H]- 164.08293 132.2
[M+NH4]+ 183.12403 150.6
[M+K]+ 204.05337 141.3
[M+H-H2O]+ 148.08747 123.0
[M+HCOO]- 210.08841 147.0
[M+CH3COO]- 224.10406 144.2
[M+Na-2H]- 186.06488 138.1
[M]+ 165.08966 144.0
[M]- 165.09076 144.0
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.