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]+ 177.986206 129.3
[M+Na]+ 199.968148 141.7
[M-H]- 175.971654 135.1
[M+NH4]+ 195.012753 152.5
[M+K]+ 215.942088 133.5
[M+H-H2O]+ 159.976190 129.9
[M+HCOO]- 221.977131 150.2
[M+CH3COO]- 235.992781 176.5
[M+Na-2H]- 197.953596 137.5
[M]+ 176.97838142 148.5
[M]- 176.97947858 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.