CID 80463369

3-(bromomethyl)-5-cyclopropyl-4-methyl-1,2-oxazole

Structural Information

Molecular Formula
C8H10BrNO
SMILES
CC1=C(ON=C1CBr)C2CC2
InChI
InChI=1S/C8H10BrNO/c1-5-7(4-9)10-11-8(5)6-2-3-6/h6H,2-4H2,1H3
InChIKey
VIYOJKIDCLYNCC-UHFFFAOYSA-N
Compound name
3-(bromomethyl)-5-cyclopropyl-4-methyl-1,2-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

214.99458 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.001856 141.2
[M+Na]+ 237.983798 156.0
[M-H]- 213.987304 151.0
[M+NH4]+ 233.028403 158.6
[M+K]+ 253.957738 146.0
[M+H-H2O]+ 197.991840 140.6
[M+HCOO]- 259.992781 162.6
[M+CH3COO]- 274.008431 187.4
[M+Na-2H]- 235.969246 148.1
[M]+ 214.99403142 163.3
[M]- 214.99512858 163.3
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.