CID 89995604

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

Structural Information

Molecular Formula
C6H9BrN2O
SMILES
CN1C(=C(C=N1)Br)COC
InChI
InChI=1S/C6H9BrN2O/c1-9-6(4-10-2)5(7)3-8-9/h3H,4H2,1-2H3
InChIKey
DKVGWJPGRFFHAX-UHFFFAOYSA-N
Compound name
4-bromo-5-(methoxymethyl)-1-methylpyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

203.98982 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.997096 133.2
[M+Na]+ 226.979038 147.0
[M-H]- 202.982544 137.7
[M+NH4]+ 222.023643 155.7
[M+K]+ 242.952978 137.4
[M+H-H2O]+ 186.987080 132.9
[M+HCOO]- 248.988021 154.8
[M+CH3COO]- 263.003671 182.7
[M+Na-2H]- 224.964486 140.4
[M]+ 203.98927142 154.4
[M]- 203.99036858 154.4
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