CID 33778016

1092301-43-3

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: 27
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]+	191.965466	130.1
[M+Na]+	213.947408	143.7
[M-H]-	189.950914	135.2
[M+NH4]+	208.992013	152.3
[M+K]+	229.921348	134.7
[M+H-H2O]+	173.955450	130.7
[M+HCOO]-	235.956391	151.0
[M+CH3COO]-	249.972041	176.6
[M+Na-2H]-	211.932856	138.0
[M]+	190.95764142	150.5
[M]-	190.95873858	150.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe