CID 146082572

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

Structural Information

Molecular Formula
C11H16BrNO
SMILES
CC(C)CC1=C(ON=C1CBr)C2CC2
InChI
InChI=1S/C11H16BrNO/c1-7(2)5-9-10(6-12)13-14-11(9)8-3-4-8/h7-8H,3-6H2,1-2H3
InChIKey
DSQVSRTZIHXBGZ-UHFFFAOYSA-N
Compound name
3-(bromomethyl)-5-cyclopropyl-4-(2-methylpropyl)-1,2-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

257.04153 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.04881 154.3
[M+Na]+ 280.03075 167.6
[M-H]- 256.03425 163.7
[M+NH4]+ 275.07535 170.1
[M+K]+ 296.00469 157.2
[M+H-H2O]+ 240.03879 153.2
[M+HCOO]- 302.03973 173.9
[M+CH3COO]- 316.05538 196.1
[M+Na-2H]- 278.01620 158.6
[M]+ 257.04098 176.8
[M]- 257.04208 176.8
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

No patent data available for this compound.