CID 11424412

Tert-butyl 2-oxoazepane-1-carboxylate

Structural Information

Molecular Formula
C11H19NO3
SMILES
CC(C)(C)OC(=O)N1CCCCCC1=O
InChI
InChI=1S/C11H19NO3/c1-11(2,3)15-10(14)12-8-6-4-5-7-9(12)13/h4-8H2,1-3H3
InChIKey
GJZYNYJIBDCRFC-UHFFFAOYSA-N
Compound name
tert-butyl 2-oxoazepane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

91
Patents

213.13649 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.14377 142.0
[M+Na]+ 236.12571 145.6
[M-H]- 212.12921 144.8
[M+NH4]+ 231.17031 158.3
[M+K]+ 252.09965 149.8
[M+H-H2O]+ 196.13375 136.3
[M+HCOO]- 258.13469 158.4
[M+CH3COO]- 272.15034 187.2
[M+Na-2H]- 234.11116 145.4
[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

literature stripe

Patent stripe

patents stripe