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]+ 257.18596 161.7
[M+Na]+ 279.16790 166.5
[M-H]- 255.17140 165.6
[M+NH4]+ 274.21250 181.3
[M+K]+ 295.14184 166.5
[M+H-H2O]+ 239.17594 156.7
[M+HCOO]- 301.17688 178.5
[M+CH3COO]- 315.19253 193.2
[M+Na-2H]- 277.15335 163.0
[M]+ 256.17813 159.4
[M]- 256.17923 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.