CID 2763221

2763-93-1

Structural Information

Molecular Formula

C₄H₅BrN₂O

SMILES

C1=C(ON=C1Br)CN

InChI

InChI=1S/C4H5BrN2O/c5-4-1-3(2-6)8-7-4/h1H,2,6H2

InChIKey

LCFSQWLCIUITOH-UHFFFAOYSA-N

Compound name

(3-bromo-1,2-oxazol-5-yl)methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 38
Patents: 175.95853 Da
Monoisotopic Mass: 0.3
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	131.9
[M+Na]+	198.94775	133.9
[M+NH4]+	193.99235	136.5
[M+K]+	214.92169	136.5
[M-H]-	174.95125	132.8
[M+Na-2H]-	196.93320	134.0
[M]+	175.95798	131.1
[M]-	175.95908	131.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe