CID 83488131

Tert-butyln-[2-(1,4-oxazepan-2-yl)ethyl]carbamate

Structural Information

Molecular Formula
C12H24N2O3
SMILES
CC(C)(C)OC(=O)NCCC1CNCCCO1
InChI
InChI=1S/C12H24N2O3/c1-12(2,3)17-11(15)14-7-5-10-9-13-6-4-8-16-10/h10,13H,4-9H2,1-3H3,(H,14,15)
InChIKey
IWTPDVLZZDQEJC-UHFFFAOYSA-N
Compound name
tert-butyl N-[2-(1,4-oxazepan-2-yl)ethyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

244.1787 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.18598 154.5
[M+Na]+ 267.16792 155.1
[M-H]- 243.17142 155.8
[M+NH4]+ 262.21252 167.0
[M+K]+ 283.14186 159.8
[M+H-H2O]+ 227.17596 147.3
[M+HCOO]- 289.17690 168.9
[M+CH3COO]- 303.19255 192.1
[M+Na-2H]- 265.15337 158.4
[M]+ 244.17815 148.9
[M]- 244.17925 148.9
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

No patent data available for this compound.