CID 165467894

Tert-butyl n-[6-(benzyloxy)-3-oxohexyl]carbamate

Structural Information

Molecular Formula
C18H27NO4
SMILES
CC(C)(C)OC(=O)NCCC(=O)CCCOCC1=CC=CC=C1
InChI
InChI=1S/C18H27NO4/c1-18(2,3)23-17(21)19-12-11-16(20)10-7-13-22-14-15-8-5-4-6-9-15/h4-6,8-9H,7,10-14H2,1-3H3,(H,19,21)
InChIKey
ABUSTPBOPOVOHR-UHFFFAOYSA-N
Compound name
tert-butyl N-(3-oxo-6-phenylmethoxyhexyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

321.194 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.20128 179.1
[M+Na]+ 344.18322 187.1
[M+NH4]+ 339.22782 184.0
[M+K]+ 360.15716 182.2
[M-H]- 320.18672 178.7
[M+Na-2H]- 342.16867 182.4
[M]+ 321.19345 179.8
[M]- 321.19455 179.8
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.