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]+ 227.175396 155.0
[M+Na]+ 249.157338 159.3
[M-H]- 225.160844 158.1
[M+NH4]+ 244.201943 170.6
[M+K]+ 265.131278 158.3
[M+H-H2O]+ 209.165380 146.7
[M+HCOO]- 271.166321 170.6
[M+CH3COO]- 285.181971 188.6
[M+Na-2H]- 247.142786 155.6
[M]+ 226.16757142 151.5
[M]- 226.16866858 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.