CID 23247855

4-bromo-1-(2-methoxyethyl)-1h-pyrazole

Structural Information

Molecular Formula
C6H9BrN2O
SMILES
COCCN1C=C(C=N1)Br
InChI
InChI=1S/C6H9BrN2O/c1-10-3-2-9-5-6(7)4-8-9/h4-5H,2-3H2,1H3
InChIKey
SJIMZWZHTDHXRI-UHFFFAOYSA-N
Compound name
4-bromo-1-(2-methoxyethyl)pyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

160
Patents

203.98982 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.99710 133.7
[M+Na]+ 226.97904 146.6
[M-H]- 202.98254 137.8
[M+NH4]+ 222.02364 155.9
[M+K]+ 242.95298 137.0
[M+H-H2O]+ 186.98708 133.1
[M+HCOO]- 248.98802 155.3
[M+CH3COO]- 263.00367 181.6
[M+Na-2H]- 224.96449 141.5
[M]+ 203.98927 154.6
[M]- 203.99037 154.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

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