CID 177794128

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

Structural Information

Molecular Formula
C12H22N2O3
SMILES
CC(C)(C)OC(=O)N1CC2(C1)CC(C2)(CN)O
InChI
InChI=1S/C12H22N2O3/c1-10(2,3)17-9(15)14-7-11(8-14)4-12(16,5-11)6-13/h16H,4-8,13H2,1-3H3
InChIKey
CIPMFLPGKFCNDR-UHFFFAOYSA-N
Compound name
tert-butyl 6-(aminomethyl)-6-hydroxy-2-azaspiro[3.3]heptane-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

242.16304 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.17032 161.1
[M+Na]+ 265.15226 163.8
[M-H]- 241.15576 163.3
[M+NH4]+ 260.19686 167.0
[M+K]+ 281.12620 168.4
[M+H-H2O]+ 225.16030 148.1
[M+HCOO]- 287.16124 174.1
[M+CH3COO]- 301.17689 202.1
[M+Na-2H]- 263.13771 163.9
[M]+ 242.16249 175.7
[M]- 242.16359 175.7
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.