CID 165752947

En300-1890472

Structural Information

Molecular Formula
C12H26N2O3
SMILES
CC(C)(C)OCC(CN)NC(=O)OC(C)(C)C
InChI
InChI=1S/C12H26N2O3/c1-11(2,3)16-8-9(7-13)14-10(15)17-12(4,5)6/h9H,7-8,13H2,1-6H3,(H,14,15)
InChIKey
DWIFOKWDILTBQK-UHFFFAOYSA-N
Compound name
tert-butyl N-[1-amino-3-[(2-methylpropan-2-yl)oxy]propan-2-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

246.19434 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.20162 161.8
[M+Na]+ 269.18356 165.7
[M-H]- 245.18706 161.3
[M+NH4]+ 264.22816 178.8
[M+K]+ 285.15750 166.4
[M+H-H2O]+ 229.19160 156.6
[M+HCOO]- 291.19254 181.0
[M+CH3COO]- 305.20819 199.4
[M+Na-2H]- 267.16901 164.5
[M]+ 246.19379 163.7
[M]- 246.19489 163.7
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.