CID 167725752

Tert-butyln-[(3-ethoxyazetidin-3-yl)methyl]carbamate

Structural Information

Molecular Formula
C11H22N2O3
SMILES
CCOC1(CNC1)CNC(=O)OC(C)(C)C
InChI
InChI=1S/C11H22N2O3/c1-5-15-11(6-12-7-11)8-13-9(14)16-10(2,3)4/h12H,5-8H2,1-4H3,(H,13,14)
InChIKey
VCCNMDWGPKWTJW-UHFFFAOYSA-N
Compound name
tert-butyl N-[(3-ethoxyazetidin-3-yl)methyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

230.16304 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.17032 159.2
[M+Na]+ 253.15226 162.2
[M-H]- 229.15576 159.4
[M+NH4]+ 248.19686 170.3
[M+K]+ 269.12620 164.8
[M+H-H2O]+ 213.16030 148.6
[M+HCOO]- 275.16124 176.0
[M+CH3COO]- 289.17689 192.0
[M+Na-2H]- 251.13771 163.3
[M]+ 230.16249 168.2
[M]- 230.16359 168.2
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.