CID 129940598

Tert-butyl 3-(aminomethyl)-2-oxa-7-azaspiro[4.4]nonane-7-carboxylate

Structural Information

Molecular Formula
C13H24N2O3
SMILES
CC(C)(C)OC(=O)N1CCC2(C1)CC(OC2)CN
InChI
InChI=1S/C13H24N2O3/c1-12(2,3)18-11(16)15-5-4-13(8-15)6-10(7-14)17-9-13/h10H,4-9,14H2,1-3H3
InChIKey
SKJDWIYFGRYNMX-UHFFFAOYSA-N
Compound name
tert-butyl 3-(aminomethyl)-2-oxa-7-azaspiro[4.4]nonane-7-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

256.17868 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.185956 161.7
[M+Na]+ 279.167898 166.5
[M-H]- 255.171404 165.6
[M+NH4]+ 274.212503 181.3
[M+K]+ 295.141838 166.5
[M+H-H2O]+ 239.175940 156.7
[M+HCOO]- 301.176881 178.5
[M+CH3COO]- 315.192531 193.2
[M+Na-2H]- 277.153346 163.0
[M]+ 256.17813142 159.4
[M]- 256.17922858 159.4
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.