CID 2759917

67305-24-2

Structural Information

Molecular Formula

C₅H₄ClNO₂

SMILES

CC1=C(C=NO1)C(=O)Cl

InChI

InChI=1S/C5H4ClNO2/c1-3-4(5(6)8)2-7-9-3/h2H,1H3

InChIKey

ZKAQPVQEYCFRTK-UHFFFAOYSA-N

Compound name

5-methyl-1,2-oxazole-4-carbonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 4
References: 339
Patents: 144.99306 Da
Monoisotopic Mass: 1.3
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]+	146.00034	123.1
[M+Na]+	167.98228	133.8
[M-H]-	143.98578	126.6
[M+NH4]+	163.02688	144.7
[M+K]+	183.95622	132.8
[M+H-H2O]+	127.99032	118.4
[M+HCOO]-	189.99126	142.4
[M+CH3COO]-	204.00691	170.9
[M+Na-2H]-	165.96773	129.6
[M]+	144.99251	127.0
[M]-	144.99361	127.0

Literature stripe

literature stripe

Patent stripe

patents stripe