CID 165770128

Tert-butyl n-({6-oxa-2-azaspiro[3.4]octan-7-yl}methyl)carbamate

Structural Information

Molecular Formula
C12H22N2O3
SMILES
CC(C)(C)OC(=O)NCC1CC2(CNC2)CO1
InChI
InChI=1S/C12H22N2O3/c1-11(2,3)17-10(15)14-5-9-4-12(8-16-9)6-13-7-12/h9,13H,4-8H2,1-3H3,(H,14,15)
InChIKey
WXCXVSXCXXEESK-UHFFFAOYSA-N
Compound name
tert-butyl N-(6-oxa-2-azaspiro[3.4]octan-7-ylmethyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

242.16304 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.170316 156.1
[M+Na]+ 265.152258 158.4
[M-H]- 241.155764 158.8
[M+NH4]+ 260.196863 167.4
[M+K]+ 281.126198 161.3
[M+H-H2O]+ 225.160300 145.8
[M+HCOO]- 287.161241 171.1
[M+CH3COO]- 301.176891 191.8
[M+Na-2H]- 263.137706 160.2
[M]+ 242.16249142 162.4
[M]- 242.16358858 162.4
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.