CID 12746087

3-chloro-5-methyl-1,2-oxazole

Structural Information

Molecular Formula

SMILES

CC1=CC(=NO1)Cl

InChI

InChI=1S/C4H4ClNO/c1-3-2-4(5)6-7-3/h2H,1H3

InChIKey

HAIYJMDKRRQFAJ-UHFFFAOYSA-N

Compound name

3-chloro-5-methyl-1,2-oxazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 111
Patents: 116.99814 Da
Monoisotopic Mass: 1.4
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]+	118.005416	116.4
[M+Na]+	139.987358	127.5
[M-H]-	115.990864	119.8
[M+NH4]+	135.031963	139.3
[M+K]+	155.961298	126.6
[M+H-H2O]+	99.995400	111.8
[M+HCOO]-	161.996341	136.6
[M+CH3COO]-	176.011991	166.0
[M+Na-2H]-	137.972806	124.6
[M]+	116.99759142	119.7
[M]-	116.99868858	119.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe