CID 11550085

3-bromo-5,5-dimethyl-4,5-dihydro-1,2-oxazole

Structural Information

Molecular Formula
C5H8BrNO
SMILES
CC1(CC(=NO1)Br)C
InChI
InChI=1S/C5H8BrNO/c1-5(2)3-4(6)7-8-5/h3H2,1-2H3
InChIKey
OMKAMTCDOWAJAA-UHFFFAOYSA-N
Compound name
3-bromo-5,5-dimethyl-4H-1,2-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

95
Patents

176.97893 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.986206 126.1
[M+Na]+ 199.968148 139.4
[M-H]- 175.971654 132.4
[M+NH4]+ 195.012753 151.3
[M+K]+ 215.942088 131.3
[M+H-H2O]+ 159.976190 127.7
[M+HCOO]- 221.977131 147.1
[M+CH3COO]- 235.992781 176.1
[M+Na-2H]- 197.953596 135.6
[M]+ 176.97838142 145.8
[M]- 176.97947858 145.8
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

patents stripe