CID 59739541

4-(bromomethyl)-5-cyclopropyl-3-methyl-1,2-oxazole

Structural Information

Molecular Formula

C₈H₁₀BrNO

SMILES

CC1=NOC(=C1CBr)C2CC2

InChI

InChI=1S/C8H10BrNO/c1-5-7(4-9)8(11-10-5)6-2-3-6/h6H,2-4H2,1H3

InChIKey

PDPNJUCAENRVGW-UHFFFAOYSA-N

Compound name

4-(bromomethyl)-5-cyclopropyl-3-methyl-1,2-oxazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 11
Patents: 214.99458 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]+	216.00186	141.2
[M+Na]+	237.98380	156.0
[M-H]-	213.98730	151.0
[M+NH4]+	233.02840	158.6
[M+K]+	253.95774	146.0
[M+H-H2O]+	197.99184	140.6
[M+HCOO]-	259.99278	162.6
[M+CH3COO]-	274.00843	187.4
[M+Na-2H]-	235.96925	148.1
[M]+	214.99403	163.3
[M]-	214.99513	163.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe