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]+ 285.21728 170.2
[M+Na]+ 307.19922 172.5
[M-H]- 283.20272 172.9
[M+NH4]+ 302.24382 184.9
[M+K]+ 323.17316 172.4
[M+H-H2O]+ 267.20726 163.2
[M+HCOO]- 329.20820 181.9
[M+CH3COO]- 343.22385 200.0
[M+Na-2H]- 305.18467 172.9
[M]+ 284.20945 164.3
[M]- 284.21055 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.