CID 84040282

1429903-85-4

Structural Information

Molecular Formula

C₆H₇BrN₂O

SMILES

C1CN2C(=C(C=N2)Br)OC1

InChI

InChI=1S/C6H7BrN2O/c7-5-4-8-9-2-1-3-10-6(5)9/h4H,1-3H2

InChIKey

LWKRQSQTGUGFAU-UHFFFAOYSA-N

Compound name

3-bromo-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 30
Patents: 201.97418 Da
Monoisotopic Mass: 1.3
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]+	202.981456	133.8
[M+Na]+	224.963398	146.1
[M-H]-	200.966904	139.0
[M+NH4]+	220.008003	155.6
[M+K]+	240.937338	137.5
[M+H-H2O]+	184.971440	133.8
[M+HCOO]-	246.972381	151.8
[M+CH3COO]-	260.988031	149.3
[M+Na-2H]-	222.948846	143.0
[M]+	201.97363142	151.6
[M]-	201.97472858	151.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe