CID 164574325

Tert-butyl 7-formyl-5-oxa-2-azaspiro[3.4]octane-2-carboxylate

Structural Information

Molecular Formula
C12H19NO4
SMILES
CC(C)(C)OC(=O)N1CC2(C1)CC(CO2)C=O
InChI
InChI=1S/C12H19NO4/c1-11(2,3)17-10(15)13-7-12(8-13)4-9(5-14)6-16-12/h5,9H,4,6-8H2,1-3H3
InChIKey
JHPXUWMTHVNDQI-UHFFFAOYSA-N
Compound name
tert-butyl 7-formyl-5-oxa-2-azaspiro[3.4]octane-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

28
Patents

241.13141 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.13869 155.9
[M+Na]+ 264.12063 159.2
[M+NH4]+ 259.16523 159.2
[M+K]+ 280.09457 158.3
[M-H]- 240.12413 153.2
[M+Na-2H]- 262.10608 156.0
[M]+ 241.13086 154.2
[M]- 241.13196 154.2
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