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]+ 257.18596 165.4
[M+Na]+ 279.16790 167.7
[M-H]- 255.17140 167.4
[M+NH4]+ 274.21250 170.8
[M+K]+ 295.14184 172.1
[M+H-H2O]+ 239.17594 152.2
[M+HCOO]- 301.17688 178.0
[M+CH3COO]- 315.19253 204.7
[M+Na-2H]- 277.15335 167.7
[M]+ 256.17813 180.3
[M]- 256.17923 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.