CID 156506474

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

Structural Information

Molecular Formula
C13H21NO3
SMILES
CC(C)(C)OC(=O)N1CC2(C1)CC(C2)CC=O
InChI
InChI=1S/C13H21NO3/c1-12(2,3)17-11(16)14-8-13(9-14)6-10(7-13)4-5-15/h5,10H,4,6-9H2,1-3H3
InChIKey
PGWBDWLVHBDDKM-UHFFFAOYSA-N
Compound name
tert-butyl 6-(2-oxoethyl)-2-azaspiro[3.3]heptane-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

239.15215 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.159426 151.5
[M+Na]+ 262.141368 155.0
[M-H]- 238.144874 155.2
[M+NH4]+ 257.185973 157.1
[M+K]+ 278.115308 159.7
[M+H-H2O]+ 222.149410 137.8
[M+HCOO]- 284.150351 165.8
[M+CH3COO]- 298.166001 202.6
[M+Na-2H]- 260.126816 154.7
[M]+ 239.15160142 168.9
[M]- 239.15269858 168.9
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

patents stripe