CID 21064050

748805-96-1

Structural Information

Molecular Formula
C11H19NO3
SMILES
CC(C)(C)OC(=O)N1CCOCC(=C)C1
InChI
InChI=1S/C11H19NO3/c1-9-7-12(5-6-14-8-9)10(13)15-11(2,3)4/h1,5-8H2,2-4H3
InChIKey
UHNJPHHZWSDWHT-UHFFFAOYSA-N
Compound name
tert-butyl 6-methylidene-1,4-oxazepane-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

127
Patents

213.13649 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.14377 141.5
[M+Na]+ 236.12571 145.1
[M-H]- 212.12921 144.9
[M+NH4]+ 231.17031 156.6
[M+K]+ 252.09965 150.0
[M+H-H2O]+ 196.13375 135.7
[M+HCOO]- 258.13469 157.1
[M+CH3COO]- 272.15034 187.3
[M+Na-2H]- 234.11116 145.8
[M]+ 213.13594 137.9
[M]- 213.13704 137.9
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