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

262
Patents

214.16812 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.175396 147.4
[M+Na]+ 237.157338 148.5
[M-H]- 213.160844 148.3
[M+NH4]+ 232.201943 162.3
[M+K]+ 253.131278 152.0
[M+H-H2O]+ 197.165380 140.8
[M+HCOO]- 259.166321 162.8
[M+CH3COO]- 273.181971 187.2
[M+Na-2H]- 235.142786 150.8
[M]+ 214.16757142 139.5
[M]- 214.16866858 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