CID 137964508

Tert-butyl 7-(aminomethyl)-3-oxa-9-azaspiro[5.5]undecane-9-carboxylate

Structural Information

Molecular Formula
C15H28N2O3
SMILES
CC(C)(C)OC(=O)N1CCC2(CCOCC2)C(C1)CN
InChI
InChI=1S/C15H28N2O3/c1-14(2,3)20-13(18)17-7-4-15(12(10-16)11-17)5-8-19-9-6-15/h12H,4-11,16H2,1-3H3
InChIKey
HSKTUROOOWTUFQ-UHFFFAOYSA-N
Compound name
tert-butyl 11-(aminomethyl)-3-oxa-9-azaspiro[5.5]undecane-9-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

284.21 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.217276 170.2
[M+Na]+ 307.199218 172.5
[M-H]- 283.202724 172.9
[M+NH4]+ 302.243823 184.9
[M+K]+ 323.173158 172.4
[M+H-H2O]+ 267.207260 163.2
[M+HCOO]- 329.208201 181.9
[M+CH3COO]- 343.223851 200.0
[M+Na-2H]- 305.184666 172.9
[M]+ 284.20945142 164.3
[M]- 284.21054858 164.3
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.