CID 165669952

Tert-butyl n-[2-amino-1-(oxan-2-yl)ethyl]carbamate

Structural Information

Molecular Formula
C12H24N2O3
SMILES
CC(C)(C)OC(=O)NC(CN)C1CCCCO1
InChI
InChI=1S/C12H24N2O3/c1-12(2,3)17-11(15)14-9(8-13)10-6-4-5-7-16-10/h9-10H,4-8,13H2,1-3H3,(H,14,15)
InChIKey
LHLIOAPCRVDDCR-UHFFFAOYSA-N
Compound name
tert-butyl N-[2-amino-1-(oxan-2-yl)ethyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

244.1787 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.185976 160.2
[M+Na]+ 267.167918 161.9
[M-H]- 243.171424 162.6
[M+NH4]+ 262.212523 175.2
[M+K]+ 283.141858 162.8
[M+H-H2O]+ 227.175960 153.7
[M+HCOO]- 289.176901 177.3
[M+CH3COO]- 303.192551 196.3
[M+Na-2H]- 265.153366 162.8
[M]+ 244.17815142 156.6
[M]- 244.17924858 156.6
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.