CID 105436699

3-bromo-5-methyl-1,2-oxazol-4-amine

Structural Information

Molecular Formula

C₄H₅BrN₂O

SMILES

CC1=C(C(=NO1)Br)N

InChI

InChI=1S/C4H5BrN2O/c1-2-3(6)4(5)7-8-2/h6H2,1H3

InChIKey

JPQPANOTZKEHBJ-UHFFFAOYSA-N

Compound name

3-bromo-5-methyl-1,2-oxazol-4-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 175.95853 Da
Monoisotopic Mass: 1.1
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]+	176.96581	126.9
[M+Na]+	198.94775	140.4
[M-H]-	174.95125	132.9
[M+NH4]+	193.99235	149.7
[M+K]+	214.92169	131.3
[M+H-H2O]+	158.95579	126.7
[M+HCOO]-	220.95673	149.6
[M+CH3COO]-	234.97238	178.1
[M+Na-2H]-	196.93320	135.0
[M]+	175.95798	145.6
[M]-	175.95908	145.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.