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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.981456 129.1
[M+Na]+ 212.963398 142.4
[M-H]- 188.966904 133.3
[M+NH4]+ 208.008003 151.8
[M+K]+ 228.937338 133.1
[M+H-H2O]+ 172.971440 128.7
[M+HCOO]- 234.972381 151.0
[M+CH3COO]- 248.988031 178.8
[M+Na-2H]- 210.948846 137.5
[M]+ 189.97363142 149.6
[M]- 189.97472858 149.6
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.