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 148.9
[M+Na]+ 253.15226 151.3
[M-H]- 229.15576 152.2
[M+NH4]+ 248.19686 163.0
[M+K]+ 269.12620 157.0
[M+H-H2O]+ 213.16030 142.1
[M+HCOO]- 275.16124 165.1
[M+CH3COO]- 289.17689 192.8
[M+Na-2H]- 251.13771 153.2
[M]+ 230.16249 145.2
[M]- 230.16359 145.2
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