CID 3040558

5-(1-piperidinylmethyl)-3-propyl-2-oxazolidinone monohydrobromide

Structural Information

Molecular Formula
C12H22N2O2
SMILES
CCCN1CC(OC1=O)CN2CCCCC2
InChI
InChI=1S/C12H22N2O2/c1-2-6-14-10-11(16-12(14)15)9-13-7-4-3-5-8-13/h11H,2-10H2,1H3
InChIKey
AWZDBWJJJHKMPP-UHFFFAOYSA-N
Compound name
5-(piperidin-1-ylmethyl)-3-propyl-1,3-oxazolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

226.16812 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.17540 155.0
[M+Na]+ 249.15734 159.3
[M-H]- 225.16084 158.1
[M+NH4]+ 244.20194 170.6
[M+K]+ 265.13128 158.3
[M+H-H2O]+ 209.16538 146.7
[M+HCOO]- 271.16632 170.6
[M+CH3COO]- 285.18197 188.6
[M+Na-2H]- 247.14279 155.6
[M]+ 226.16757 151.5
[M]- 226.16867 151.5
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.