CID 10240954

74307-97-4

Structural Information

Molecular Formula

C₆H₁₀ClNO

SMILES

CC1(COC(=N1)CCl)C

InChI

InChI=1S/C6H10ClNO/c1-6(2)4-9-5(3-7)8-6/h3-4H2,1-2H3

InChIKey

LVPIFYYRWKTPQY-UHFFFAOYSA-N

Compound name

2-(chloromethyl)-4,4-dimethyl-5H-1,3-oxazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 147.04509 Da
Monoisotopic Mass: 1.0
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]+	148.05237	126.0
[M+Na]+	170.03431	138.6
[M+NH4]+	165.07891	136.5
[M+K]+	186.00825	132.5
[M-H]-	146.03781	128.3
[M+Na-2H]-	168.01976	132.8
[M]+	147.04454	128.9
[M]-	147.04564	128.9

Literature stripe

literature stripe

Patent stripe

patents stripe