CID 72208172

Tert-butyl 2-(aminomethyl)-1-oxa-7-azaspiro[3.5]nonane-7-carboxylate

Structural Information

Molecular Formula
C13H24N2O3
SMILES
CC(C)(C)OC(=O)N1CCC2(CC1)CC(O2)CN
InChI
InChI=1S/C13H24N2O3/c1-12(2,3)18-11(16)15-6-4-13(5-7-15)8-10(9-14)17-13/h10H,4-9,14H2,1-3H3
InChIKey
BXYHKGJGEWCZMB-UHFFFAOYSA-N
Compound name
tert-butyl 2-(aminomethyl)-1-oxa-7-azaspiro[3.5]nonane-7-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

256.17868 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.185956 160.8
[M+Na]+ 279.167898 163.5
[M-H]- 255.171404 164.1
[M+NH4]+ 274.212503 170.4
[M+K]+ 295.141838 167.1
[M+H-H2O]+ 239.175940 149.5
[M+HCOO]- 301.176881 174.3
[M+CH3COO]- 315.192531 198.1
[M+Na-2H]- 277.153346 164.3
[M]+ 256.17813142 166.6
[M]- 256.17922858 166.6
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

patents stripe