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]+ 202.98146 134.8
[M+Na]+ 224.96340 146.6
[M-H]- 200.96690 138.6
[M+NH4]+ 220.00800 155.9
[M+K]+ 240.93734 137.1
[M+H-H2O]+ 184.97144 134.9
[M+HCOO]- 246.97238 151.3
[M+CH3COO]- 260.98803 149.6
[M+Na-2H]- 222.94885 143.4
[M]+ 201.97363 150.8
[M]- 201.97473 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.