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]+ 240.15943 151.5
[M+Na]+ 262.14137 155.0
[M-H]- 238.14487 155.2
[M+NH4]+ 257.18597 157.1
[M+K]+ 278.11531 159.7
[M+H-H2O]+ 222.14941 137.8
[M+HCOO]- 284.15035 165.8
[M+CH3COO]- 298.16600 202.6
[M+Na-2H]- 260.12682 154.7
[M]+ 239.15160 168.9
[M]- 239.15270 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