CID 10607354

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

Structural Information

Molecular Formula
C5H6BrNO
SMILES
CC1=NOC(=C1)CBr
InChI
InChI=1S/C5H6BrNO/c1-4-2-5(3-6)8-7-4/h2H,3H2,1H3
InChIKey
DMUJLHLWCUMHRT-UHFFFAOYSA-N
Compound name
5-(bromomethyl)-3-methyl-1,2-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

214
Patents

174.96329 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.970566 126.8
[M+Na]+ 197.952508 140.2
[M-H]- 173.956014 133.0
[M+NH4]+ 192.997113 150.2
[M+K]+ 213.926448 131.8
[M+H-H2O]+ 157.960550 127.4
[M+HCOO]- 219.961491 149.0
[M+CH3COO]- 233.977141 176.1
[M+Na-2H]- 195.937956 136.0
[M]+ 174.96274142 147.4
[M]- 174.96383858 147.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe