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

136
Patents

213.13649 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.143766 141.5
[M+Na]+ 236.125708 145.1
[M-H]- 212.129214 144.9
[M+NH4]+ 231.170313 156.6
[M+K]+ 252.099648 150.0
[M+H-H2O]+ 196.133750 135.7
[M+HCOO]- 258.134691 157.1
[M+CH3COO]- 272.150341 187.3
[M+Na-2H]- 234.111156 145.8
[M]+ 213.13594142 137.9
[M]- 213.13703858 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