CID 178199953

Tert-butyl 6-(aminomethyl)-6-(hydroxymethyl)-2-azaspiro[3.3]heptane-2-carboxylate

Structural Information

Molecular Formula
C13H24N2O3
SMILES
CC(C)(C)OC(=O)N1CC2(C1)CC(C2)(CN)CO
InChI
InChI=1S/C13H24N2O3/c1-11(2,3)18-10(17)15-7-13(8-15)4-12(5-13,6-14)9-16/h16H,4-9,14H2,1-3H3
InChIKey
DLXYRIOELPQHEX-UHFFFAOYSA-N
Compound name
tert-butyl 6-(aminomethyl)-6-(hydroxymethyl)-2-azaspiro[3.3]heptane-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

256.17868 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.185956 165.4
[M+Na]+ 279.167898 167.7
[M-H]- 255.171404 167.4
[M+NH4]+ 274.212503 170.8
[M+K]+ 295.141838 172.1
[M+H-H2O]+ 239.175940 152.2
[M+HCOO]- 301.176881 178.0
[M+CH3COO]- 315.192531 204.7
[M+Na-2H]- 277.153346 167.7
[M]+ 256.17813142 180.3
[M]- 256.17922858 180.3
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.