CID 62385922

Tert-butyl n-[2-amino-1-(oxan-4-yl)ethyl]carbamate

Structural Information

Molecular Formula
C12H24N2O3
SMILES
CC(C)(C)OC(=O)NC(CN)C1CCOCC1
InChI
InChI=1S/C12H24N2O3/c1-12(2,3)17-11(15)14-10(8-13)9-4-6-16-7-5-9/h9-10H,4-8,13H2,1-3H3,(H,14,15)
InChIKey
OQQBZMHGJSNSPV-UHFFFAOYSA-N
Compound name
tert-butyl N-[2-amino-1-(oxan-4-yl)ethyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

244.1787 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.18598 160.2
[M+Na]+ 267.16792 161.9
[M-H]- 243.17142 162.6
[M+NH4]+ 262.21252 175.2
[M+K]+ 283.14186 162.8
[M+H-H2O]+ 227.17596 153.7
[M+HCOO]- 289.17690 177.3
[M+CH3COO]- 303.19255 196.3
[M+Na-2H]- 265.15337 162.8
[M]+ 244.17815 156.6
[M]- 244.17925 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.