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

203
Patents

228.1474 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.15468 148.7
[M+Na]+ 251.13662 150.9
[M-H]- 227.14012 150.1
[M+NH4]+ 246.18122 163.3
[M+K]+ 267.11056 154.7
[M+H-H2O]+ 211.14466 142.3
[M+HCOO]- 273.14560 164.5
[M+CH3COO]- 287.16125 189.5
[M+Na-2H]- 249.12207 151.7
[M]+ 228.14685 142.0
[M]- 228.14795 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