CID 84618178

1351386-47-4

Structural Information

Molecular Formula

C₆H₇BrN₂O

SMILES

C1COCC2=C1NN=C2Br

InChI

InChI=1S/C6H7BrN2O/c7-6-4-3-10-2-1-5(4)8-9-6/h1-3H2,(H,8,9)

InChIKey

CYXPSFVOFCJXNC-UHFFFAOYSA-N

Compound name

3-bromo-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 201.97418 Da
Monoisotopic Mass: 1.0
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	138.7
[M+Na]+	224.96340	141.1
[M+NH4]+	220.00800	143.6
[M+K]+	240.93734	143.1
[M-H]-	200.96690	138.9
[M+Na-2H]-	222.94885	139.8
[M]+	201.97363	137.7
[M]-	201.97473	137.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.