CID 24865325

Tert-butyl 6-oxo-1,4-oxazepane-4-carboxylate

Structural Information

Molecular Formula
C10H17NO4
SMILES
CC(C)(C)OC(=O)N1CCOCC(=O)C1
InChI
InChI=1S/C10H17NO4/c1-10(2,3)15-9(13)11-4-5-14-7-8(12)6-11/h4-7H2,1-3H3
InChIKey
PFSHWTZFMZJJMP-UHFFFAOYSA-N
Compound name
tert-butyl 6-oxo-1,4-oxazepane-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

171
Patents

215.11575 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.123026 139.8
[M+Na]+ 238.104968 143.7
[M-H]- 214.108474 143.4
[M+NH4]+ 233.149573 154.8
[M+K]+ 254.078908 149.5
[M+H-H2O]+ 198.113010 134.0
[M+HCOO]- 260.113951 155.9
[M+CH3COO]- 274.129601 186.4
[M+Na-2H]- 236.090416 144.7
[M]+ 215.11520142 137.3
[M]- 215.11629858 137.3
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