CID 82380037

5-(bromomethyl)-3-cyclohexyl-1,3-oxazolidin-2-one

Structural Information

Molecular Formula
C10H16BrNO2
SMILES
C1CCC(CC1)N2CC(OC2=O)CBr
InChI
InChI=1S/C10H16BrNO2/c11-6-9-7-12(10(13)14-9)8-4-2-1-3-5-8/h8-9H,1-7H2
InChIKey
BIMDAYKKEYIFRM-UHFFFAOYSA-N
Compound name
5-(bromomethyl)-3-cyclohexyl-1,3-oxazolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

261.03644 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.04372 155.2
[M+Na]+ 284.02566 163.8
[M-H]- 260.02916 162.7
[M+NH4]+ 279.07026 174.6
[M+K]+ 299.99960 154.7
[M+H-H2O]+ 244.03370 154.8
[M+HCOO]- 306.03464 170.7
[M+CH3COO]- 320.05029 189.9
[M+Na-2H]- 282.01111 158.1
[M]+ 261.03589 169.5
[M]- 261.03699 169.5
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.