CID 10240954

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

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]+	148.052366	125.6
[M+Na]+	170.034308	135.7
[M-H]-	146.037814	128.7
[M+NH4]+	165.078913	149.2
[M+K]+	186.008248	134.6
[M+H-H2O]+	130.042350	121.5
[M+HCOO]-	192.043291	143.8
[M+CH3COO]-	206.058941	171.9
[M+Na-2H]-	168.019756	133.0
[M]+	147.04454142	128.5
[M]-	147.04563858	128.5

Literature stripe

literature stripe

Patent stripe

patents stripe