CID 4645994

Tert-butyl n-(azepan-4-yl)carbamate

Structural Information

Molecular Formula
C11H22N2O2
SMILES
CC(C)(C)OC(=O)NC1CCCNCC1
InChI
InChI=1S/C11H22N2O2/c1-11(2,3)15-10(14)13-9-5-4-7-12-8-6-9/h9,12H,4-8H2,1-3H3,(H,13,14)
InChIKey
MIYUNZAWHSSBPU-UHFFFAOYSA-N
Compound name
tert-butyl N-(azepan-4-yl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

303
Patents

214.16812 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.17540 147.4
[M+Na]+ 237.15734 148.5
[M-H]- 213.16084 148.3
[M+NH4]+ 232.20194 162.3
[M+K]+ 253.13128 152.0
[M+H-H2O]+ 197.16538 140.8
[M+HCOO]- 259.16632 162.8
[M+CH3COO]- 273.18197 187.2
[M+Na-2H]- 235.14279 150.8
[M]+ 214.16757 139.5
[M]- 214.16867 139.5
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