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

117
Patents

176.97893 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.98621 126.1
[M+Na]+ 199.96815 139.4
[M-H]- 175.97165 132.4
[M+NH4]+ 195.01275 151.3
[M+K]+ 215.94209 131.3
[M+H-H2O]+ 159.97619 127.7
[M+HCOO]- 221.97713 147.1
[M+CH3COO]- 235.99278 176.1
[M+Na-2H]- 197.95360 135.6
[M]+ 176.97838 145.8
[M]- 176.97948 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