CID 67003909

4-bromo-3-methoxy-1-methyl-1h-pyrazole

Structural Information

Molecular Formula
C5H7BrN2O
SMILES
CN1C=C(C(=N1)OC)Br
InChI
InChI=1S/C5H7BrN2O/c1-8-3-4(6)5(7-8)9-2/h3H,1-2H3
InChIKey
GSGDRYZMVCJXPM-UHFFFAOYSA-N
Compound name
4-bromo-3-methoxy-1-methylpyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

33
Patents

189.97418 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.98146 128.6
[M+Na]+ 212.96340 142.8
[M-H]- 188.96690 133.2
[M+NH4]+ 208.00800 151.6
[M+K]+ 228.93734 133.4
[M+H-H2O]+ 172.97144 128.5
[M+HCOO]- 234.97238 150.5
[M+CH3COO]- 248.98803 179.8
[M+Na-2H]- 210.94885 136.3
[M]+ 189.97363 149.4
[M]- 189.97473 149.4
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

patents stripe