CID 130512590

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

Structural Information

Molecular Formula
C9H12BrNO
SMILES
CCC1=C(ON=C1CBr)C2CC2
InChI
InChI=1S/C9H12BrNO/c1-2-7-8(5-10)11-12-9(7)6-3-4-6/h6H,2-5H2,1H3
InChIKey
OBXMKGCPDTYPMH-UHFFFAOYSA-N
Compound name
3-(bromomethyl)-5-cyclopropyl-4-ethyl-1,2-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

229.01022 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.01750 145.5
[M+Na]+ 251.99944 160.0
[M-H]- 228.00294 155.2
[M+NH4]+ 247.04404 162.5
[M+K]+ 267.97338 149.7
[M+H-H2O]+ 212.00748 144.7
[M+HCOO]- 274.00842 166.7
[M+CH3COO]- 288.02407 190.0
[M+Na-2H]- 249.98489 152.0
[M]+ 229.00967 167.9
[M]- 229.01077 167.9
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.