CID 167736446

Tert-butyl (4s)-6-formyl-6-methyl-1-azaspiro[3.3]heptane-1-carboxylate

Structural Information

Molecular Formula
C13H21NO3
SMILES
CC1(CC2(C1)CCN2C(=O)OC(C)(C)C)C=O
InChI
InChI=1S/C13H21NO3/c1-11(2,3)17-10(16)14-6-5-13(14)7-12(4,8-13)9-15/h9H,5-8H2,1-4H3
InChIKey
XGHUJQXQRWLCCQ-UHFFFAOYSA-N
Compound name
tert-butyl 6-formyl-6-methyl-1-azaspiro[3.3]heptane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

239.15215 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.159426 153.7
[M+Na]+ 262.141368 158.1
[M-H]- 238.144874 157.9
[M+NH4]+ 257.185973 161.2
[M+K]+ 278.115308 162.7
[M+H-H2O]+ 222.149410 141.8
[M+HCOO]- 284.150351 168.1
[M+CH3COO]- 298.166001 202.4
[M+Na-2H]- 260.126816 157.9
[M]+ 239.15160142 171.5
[M]- 239.15269858 171.5
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.