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: 127
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	131.5
[M+Na]+	198.94775	133.8
[M+NH4]+	193.99235	136.1
[M+K]+	214.92169	136.6
[M-H]-	174.95125	132.4
[M+Na-2H]-	196.93320	133.5
[M]+	175.95798	130.7
[M]-	175.95908	130.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe