CID 67358147

5-chloromethyl-2-isopropyloxazole

Structural Information

Molecular Formula

C₇H₁₀ClNO

SMILES

CC(C)C1=NC=C(O1)CCl

InChI

InChI=1S/C7H10ClNO/c1-5(2)7-9-4-6(3-8)10-7/h4-5H,3H2,1-2H3

InChIKey

CBAAZSZPDANZLL-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 17
Patents: 159.04509 Da
Monoisotopic Mass: 1.9
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]+	160.05237	131.1
[M+Na]+	182.03431	140.7
[M-H]-	158.03781	134.2
[M+NH4]+	177.07891	152.3
[M+K]+	198.00825	139.3
[M+H-H2O]+	142.04235	126.0
[M+HCOO]-	204.04329	149.3
[M+CH3COO]-	218.05894	175.8
[M+Na-2H]-	180.01976	136.4
[M]+	159.04454	135.0
[M]-	159.04564	135.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe