CID 121223825

Tert-butyl 6-(methylamino)-1,4-oxazepane-4-carboxylate

Structural Information

Molecular Formula
C11H22N2O3
SMILES
CC(C)(C)OC(=O)N1CCOCC(C1)NC
InChI
InChI=1S/C11H22N2O3/c1-11(2,3)16-10(14)13-5-6-15-8-9(7-13)12-4/h9,12H,5-8H2,1-4H3
InChIKey
LJYIBFMGAGMOCA-UHFFFAOYSA-N
Compound name
tert-butyl 6-(methylamino)-1,4-oxazepane-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

230.16304 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.17032 154.5
[M+Na]+ 253.15226 160.6
[M+NH4]+ 248.19686 159.6
[M+K]+ 269.12620 159.0
[M-H]- 229.15576 155.0
[M+Na-2H]- 251.13771 156.5
[M]+ 230.16249 155.2
[M]- 230.16359 155.2
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

patents stripe