CID 12364602

64988-71-2

Structural Information

Molecular Formula

C₇H₁₀ClNO

SMILES

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

InChI

InChI=1S/C7H10ClNO/c1-5(2)7-3-6(4-8)10-9-7/h3,5H,4H2,1-2H3

InChIKey

DXCHZEISFLMPFZ-UHFFFAOYSA-N

Compound name

5-(chloromethyl)-3-propan-2-yl-1,2-oxazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 74
Patents: 159.04509 Da
Monoisotopic Mass: 2.0
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]+	160.052366	131.1
[M+Na]+	182.034308	140.7
[M-H]-	158.037814	134.2
[M+NH4]+	177.078913	152.3
[M+K]+	198.008248	139.3
[M+H-H2O]+	142.042350	126.0
[M+HCOO]-	204.043291	149.3
[M+CH3COO]-	218.058941	175.8
[M+Na-2H]-	180.019756	136.4
[M]+	159.04454142	135.0
[M]-	159.04563858	135.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe