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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.981456 134.8
[M+Na]+ 224.963398 146.6
[M-H]- 200.966904 138.6
[M+NH4]+ 220.008003 155.9
[M+K]+ 240.937338 137.1
[M+H-H2O]+ 184.971440 134.9
[M+HCOO]- 246.972381 151.3
[M+CH3COO]- 260.988031 149.6
[M+Na-2H]- 222.948846 143.4
[M]+ 201.97363142 150.8
[M]- 201.97472858 150.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.