CID 126744271

3-bromo-1-(methoxymethyl)-1h-pyrazole-5-carbaldehyde

Structural Information

Molecular Formula

C₆H₇BrN₂O₂

SMILES

COCN1C(=CC(=N1)Br)C=O

InChI

InChI=1S/C6H7BrN2O2/c1-11-4-9-5(3-10)2-6(7)8-9/h2-3H,4H2,1H3

InChIKey

SPLJWNWJXVQXAN-UHFFFAOYSA-N

Compound name

5-bromo-2-(methoxymethyl)pyrazole-3-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 15
Patents: 217.96909 Da
Monoisotopic Mass: 0.9
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]+	218.97637	142.9
[M+Na]+	240.95831	145.3
[M+NH4]+	236.00291	146.4
[M+K]+	256.93225	147.3
[M-H]-	216.96181	141.2
[M+Na-2H]-	238.94376	144.4
[M]+	217.96854	141.3
[M]-	217.96964	141.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe