CID 2756762

Tert-butyl n-(2-oxoazepan-3-yl)carbamate

Structural Information

Molecular Formula
C11H20N2O3
SMILES
CC(C)(C)OC(=O)NC1CCCCNC1=O
InChI
InChI=1S/C11H20N2O3/c1-11(2,3)16-10(15)13-8-6-4-5-7-12-9(8)14/h8H,4-7H2,1-3H3,(H,12,14)(H,13,15)
InChIKey
AQKNKAUJTJFUMG-UHFFFAOYSA-N
Compound name
tert-butyl N-(2-oxoazepan-3-yl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

215
Patents

228.1474 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.154676 148.7
[M+Na]+ 251.136618 150.9
[M-H]- 227.140124 150.1
[M+NH4]+ 246.181223 163.3
[M+K]+ 267.110558 154.7
[M+H-H2O]+ 211.144660 142.3
[M+HCOO]- 273.145601 164.5
[M+CH3COO]- 287.161251 189.5
[M+Na-2H]- 249.122066 151.7
[M]+ 228.14685142 142.0
[M]- 228.14794858 142.0
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