CID 33778016

(4-bromo-3-methylisoxazol-5-yl)methanol

Structural Information

Molecular Formula

C₅H₆BrNO₂

SMILES

CC1=NOC(=C1Br)CO

InChI

InChI=1S/C5H6BrNO2/c1-3-5(6)4(2-8)9-7-3/h8H,2H2,1H3

InChIKey

ACFXRMJDKKFWTL-UHFFFAOYSA-N

Compound name

(4-bromo-3-methyl-1,2-oxazol-5-yl)methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 18
Patents: 190.95819 Da
Monoisotopic Mass: 0.6
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]+	191.96547	135.0
[M+Na]+	213.94741	137.6
[M+NH4]+	208.99201	139.2
[M+K]+	229.92135	140.4
[M-H]-	189.95091	134.9
[M+Na-2H]-	211.93286	136.4
[M]+	190.95764	134.0
[M]-	190.95874	134.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe