CID 165881573

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

Structural Information

Molecular Formula
C6H9BrN2O
SMILES
CC1=C(N(N=C1)COC)Br
InChI
InChI=1S/C6H9BrN2O/c1-5-3-8-9(4-10-2)6(5)7/h3H,4H2,1-2H3
InChIKey
JVJNMRSMUQBYHN-UHFFFAOYSA-N
Compound name
5-bromo-1-(methoxymethyl)-4-methylpyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

203.98982 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.99710 133.2
[M+Na]+ 226.97904 147.0
[M-H]- 202.98254 137.7
[M+NH4]+ 222.02364 155.7
[M+K]+ 242.95298 137.4
[M+H-H2O]+ 186.98708 132.9
[M+HCOO]- 248.98802 154.8
[M+CH3COO]- 263.00367 182.7
[M+Na-2H]- 224.96449 140.4
[M]+ 203.98927 154.4
[M]- 203.99037 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

No patent data available for this compound.