CID 83488131

1781853-27-7

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]+ 245.185976 154.5
[M+Na]+ 267.167918 155.1
[M-H]- 243.171424 155.8
[M+NH4]+ 262.212523 167.0
[M+K]+ 283.141858 159.8
[M+H-H2O]+ 227.175960 147.3
[M+HCOO]- 289.176901 168.9
[M+CH3COO]- 303.192551 192.1
[M+Na-2H]- 265.153366 158.4
[M]+ 244.17815142 148.9
[M]- 244.17924858 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.