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]+ 285.25365 176.3
[M+Na]+ 307.23559 179.5
[M-H]- 283.23909 179.3
[M+NH4]+ 302.28019 191.8
[M+K]+ 323.20953 179.9
[M+H-H2O]+ 267.24363 168.9
[M+HCOO]- 329.24457 194.2
[M+CH3COO]- 343.26022 211.4
[M+Na-2H]- 305.22104 173.2
[M]+ 284.24582 179.9
[M]- 284.24692 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.