CID 16792072

944901-64-8

Structural Information

Molecular Formula

C₇H₁₁ClN₂O

SMILES

CC(C)(C)C1=NOC(=N1)CCl

InChI

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

InChIKey

FLQGSJGVOCVQJM-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
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]+	175.063256	135.7
[M+Na]+	197.045198	146.1
[M-H]-	173.048704	137.6
[M+NH4]+	192.089803	155.2
[M+K]+	213.019138	144.6
[M+H-H2O]+	157.053240	130.0
[M+HCOO]-	219.054181	151.9
[M+CH3COO]-	233.069831	177.4
[M+Na-2H]-	195.030646	142.7
[M]+	174.05543142	140.0
[M]-	174.05652858	140.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe