CID 75356273

5-(bromomethyl)-3-(1,5-dimethyl-1h-pyrazol-4-yl)-1,2-oxazole

Structural Information

Molecular Formula
C9H10BrN3O
SMILES
CC1=C(C=NN1C)C2=NOC(=C2)CBr
InChI
InChI=1S/C9H10BrN3O/c1-6-8(5-11-13(6)2)9-3-7(4-10)14-12-9/h3,5H,4H2,1-2H3
InChIKey
UTRCMPFPUJQDHA-UHFFFAOYSA-N
Compound name
5-(bromomethyl)-3-(1,5-dimethylpyrazol-4-yl)-1,2-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

255.00072 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.00800 145.1
[M+Na]+ 277.98994 160.6
[M-H]- 253.99344 152.7
[M+NH4]+ 273.03454 164.9
[M+K]+ 293.96388 151.2
[M+H-H2O]+ 237.99798 144.3
[M+HCOO]- 299.99892 167.2
[M+CH3COO]- 314.01457 161.5
[M+Na-2H]- 275.97539 151.0
[M]+ 255.00017 168.5
[M]- 255.00127 168.5
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.