CID 16227881

929973-39-7

Structural Information

Molecular Formula

C₇H₁₁ClN₂O

SMILES

CC(C)CC1=NOC(=N1)CCl

InChI

InChI=1S/C7H11ClN2O/c1-5(2)3-6-9-7(4-8)11-10-6/h5H,3-4H2,1-2H3

InChIKey

QLUYYVAGHMXRRR-UHFFFAOYSA-N

Compound name

5-(chloromethyl)-3-(2-methylpropyl)-1,2,4-oxadiazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 174.05598 Da
Monoisotopic Mass: 2.2
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	134.5
[M+Na]+	197.04520	147.1
[M+NH4]+	192.08980	142.4
[M+K]+	213.01914	143.2
[M-H]-	173.04870	135.9
[M+Na-2H]-	195.03065	139.5
[M]+	174.05543	136.8
[M]-	174.05653	136.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe