CID 13836904

4-(4-bromo-1-methyl-1h-pyrazol-5-yl)butanal

Structural Information

Molecular Formula
C8H11BrN2O
SMILES
CN1C(=C(C=N1)Br)CCCC=O
InChI
InChI=1S/C8H11BrN2O/c1-11-8(4-2-3-5-12)7(9)6-10-11/h5-6H,2-4H2,1H3
InChIKey
FNFLYESVBAQUNI-UHFFFAOYSA-N
Compound name
4-(4-bromo-2-methylpyrazol-3-yl)butanal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

230.00548 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.01276 148.5
[M+Na]+ 252.99470 150.9
[M+NH4]+ 248.03930 152.2
[M+K]+ 268.96864 152.1
[M-H]- 228.99820 147.1
[M+Na-2H]- 250.98015 149.9
[M]+ 230.00493 147.1
[M]- 230.00603 147.1
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.