CID 66521416

4-bromo-1-(oxan-3-yl)-1h-pyrazole

Structural Information

Molecular Formula
C8H11BrN2O
SMILES
C1CC(COC1)N2C=C(C=N2)Br
InChI
InChI=1S/C8H11BrN2O/c9-7-4-10-11(5-7)8-2-1-3-12-6-8/h4-5,8H,1-3,6H2
InChIKey
QUPIIQFKOXWGME-UHFFFAOYSA-N
Compound name
4-bromo-1-(oxan-3-yl)pyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

230.00548 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.01276 146.9
[M+Na]+ 252.99470 149.5
[M+NH4]+ 248.03930 151.7
[M+K]+ 268.96864 151.1
[M-H]- 228.99820 148.8
[M+Na-2H]- 250.98015 149.6
[M]+ 230.00493 146.5
[M]- 230.00603 146.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

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No patent data available for this compound.