CID 84076244

Tert-butyl n-(1,4-oxazepan-6-yl)carbamate

Structural Information

Molecular Formula
C10H20N2O3
SMILES
CC(C)(C)OC(=O)NC1CNCCOC1
InChI
InChI=1S/C10H20N2O3/c1-10(2,3)15-9(13)12-8-6-11-4-5-14-7-8/h8,11H,4-7H2,1-3H3,(H,12,13)
InChIKey
ZKGJDFARDRHXIQ-UHFFFAOYSA-N
Compound name
tert-butyl N-(1,4-oxazepan-6-yl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

31
Patents

216.1474 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.15468 150.6
[M+Na]+ 239.13662 156.0
[M+NH4]+ 234.18122 155.5
[M+K]+ 255.11056 154.8
[M-H]- 215.14012 150.5
[M+Na-2H]- 237.12207 152.5
[M]+ 216.14685 150.9
[M]- 216.14795 150.9
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