CID 10487519

4-bromo-3-methylisoxazol-5-amine

Structural Information

Molecular Formula

C₄H₅BrN₂O

SMILES

CC1=NOC(=C1Br)N

InChI

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

InChIKey

XCYKKCVEVOZFIL-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 162
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]+	176.965806	126.9
[M+Na]+	198.947748	140.4
[M-H]-	174.951254	132.9
[M+NH4]+	193.992353	149.7
[M+K]+	214.921688	131.3
[M+H-H2O]+	158.955790	126.7
[M+HCOO]-	220.956731	149.6
[M+CH3COO]-	234.972381	178.1
[M+Na-2H]-	196.933196	135.0
[M]+	175.95798142	145.6
[M]-	175.95907858	145.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe