CID 151841746

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

Structural Information

Molecular Formula

C₅H₇BrN₂O

SMILES

COCN1C(=CC=N1)Br

InChI

InChI=1S/C5H7BrN2O/c1-9-4-8-5(6)2-3-7-8/h2-3H,4H2,1H3

InChIKey

SGUSEUPAMJJRLW-UHFFFAOYSA-N

Compound name

5-bromo-1-(methoxymethyl)pyrazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 189.97418 Da
Monoisotopic Mass: 1.1
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]+	190.98146	129.1
[M+Na]+	212.96340	142.4
[M-H]-	188.96690	133.3
[M+NH4]+	208.00800	151.8
[M+K]+	228.93734	133.1
[M+H-H2O]+	172.97144	128.7
[M+HCOO]-	234.97238	151.0
[M+CH3COO]-	248.98803	178.8
[M+Na-2H]-	210.94885	137.5
[M]+	189.97363	149.6
[M]-	189.97473	149.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.