CID 3040564

3-butyl-5-(diisobutylamino)methyl-2-oxazolidone hydrobromide

Structural Information

Molecular Formula
C16H32N2O2
SMILES
CCCCN1CC(OC1=O)CN(CC(C)C)CC(C)C
InChI
InChI=1S/C16H32N2O2/c1-6-7-8-18-12-15(20-16(18)19)11-17(9-13(2)3)10-14(4)5/h13-15H,6-12H2,1-5H3
InChIKey
GRTHSBZFOGZQNB-UHFFFAOYSA-N
Compound name
5-[[bis(2-methylpropyl)amino]methyl]-3-butyl-1,3-oxazolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

284.24637 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.253646 176.3
[M+Na]+ 307.235588 179.5
[M-H]- 283.239094 179.3
[M+NH4]+ 302.280193 191.8
[M+K]+ 323.209528 179.9
[M+H-H2O]+ 267.243630 168.9
[M+HCOO]- 329.244571 194.2
[M+CH3COO]- 343.260221 211.4
[M+Na-2H]- 305.221036 173.2
[M]+ 284.24582142 179.9
[M]- 284.24691858 179.9
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.