CID 22087321

1240612-08-1

Structural Information

Molecular Formula
C5H6BrNO
SMILES
CC1=C(OC(=N1)Br)C
InChI
InChI=1S/C5H6BrNO/c1-3-4(2)8-5(6)7-3/h1-2H3
InChIKey
QDVISYCNCKXBLV-UHFFFAOYSA-N
Compound name
2-bromo-4,5-dimethyl-1,3-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

174.96329 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.97057 126.2
[M+Na]+ 197.95251 140.4
[M-H]- 173.95601 132.7
[M+NH4]+ 192.99711 149.8
[M+K]+ 213.92645 132.0
[M+H-H2O]+ 157.96055 127.0
[M+HCOO]- 219.96149 148.4
[M+CH3COO]- 233.97714 177.2
[M+Na-2H]- 195.93796 134.7
[M]+ 174.96274 147.1
[M]- 174.96384 147.1
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