CID 85968587

5-(bromomethyl)-3-methyl-4,5-dihydro-1,2-oxazole

Structural Information

Molecular Formula
C5H8BrNO
SMILES
CC1=NOC(C1)CBr
InChI
InChI=1S/C5H8BrNO/c1-4-2-5(3-6)8-7-4/h5H,2-3H2,1H3
InChIKey
XDOIJSYGUFRXPS-UHFFFAOYSA-N
Compound name
5-(bromomethyl)-3-methyl-4,5-dihydro-1,2-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

176.97893 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.98621 129.3
[M+Na]+ 199.96815 141.7
[M-H]- 175.97165 135.1
[M+NH4]+ 195.01275 152.5
[M+K]+ 215.94209 133.5
[M+H-H2O]+ 159.97619 129.9
[M+HCOO]- 221.97713 150.2
[M+CH3COO]- 235.99278 176.5
[M+Na-2H]- 197.95360 137.5
[M]+ 176.97838 148.5
[M]- 176.97948 148.5
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.