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

153
Patents

215.11575 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.12303 139.8
[M+Na]+ 238.10497 143.7
[M-H]- 214.10847 143.4
[M+NH4]+ 233.14957 154.8
[M+K]+ 254.07891 149.5
[M+H-H2O]+ 198.11301 134.0
[M+HCOO]- 260.11395 155.9
[M+CH3COO]- 274.12960 186.4
[M+Na-2H]- 236.09042 144.7
[M]+ 215.11520 137.3
[M]- 215.11630 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