CID 2796738

175205-41-1

Structural Information

Molecular Formula

C₇H₁₁ClN₂O

SMILES

CC(C)(C)C1=NC(=NO1)CCl

InChI

InChI=1S/C7H11ClN2O/c1-7(2,3)6-9-5(4-8)10-11-6/h4H2,1-3H3

InChIKey

AIVSLDAXUIRICJ-UHFFFAOYSA-N

Compound name

5-tert-butyl-3-(chloromethyl)-1,2,4-oxadiazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 167
Patents: 174.05598 Da
Monoisotopic Mass: 2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	175.06326	135.0
[M+Na]+	197.04520	147.7
[M+NH4]+	192.08980	142.9
[M+K]+	213.01914	144.2
[M-H]-	173.04870	136.1
[M+Na-2H]-	195.03065	140.3
[M]+	174.05543	137.4
[M]-	174.05653	137.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe