CID 162394029

7-bromo-3-methyl-2,3-dihydropyrazolo[5,1-b]oxazole

Structural Information

Molecular Formula

C₆H₇BrN₂O

SMILES

CC1COC2=C(C=NN12)Br

InChI

InChI=1S/C6H7BrN2O/c1-4-3-10-6-5(7)2-8-9(4)6/h2,4H,3H2,1H3

InChIKey

CWWBIAYLVMJDGI-UHFFFAOYSA-N

Compound name

7-bromo-3-methyl-2,3-dihydropyrazolo[5,1-b][1,3]oxazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
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]+	202.98146	142.0
[M+Na]+	224.96340	144.2
[M+NH4]+	220.00800	146.9
[M+K]+	240.93734	147.8
[M-H]-	200.96690	142.1
[M+Na-2H]-	222.94885	142.3
[M]+	201.97363	141.0
[M]-	201.97473	141.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe