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 150.2
[M+Na]+ 264.12063 155.2
[M-H]- 240.12413 155.0
[M+NH4]+ 259.16523 162.9
[M+K]+ 280.09457 158.8
[M+H-H2O]+ 224.12867 141.1
[M+HCOO]- 286.12961 166.4
[M+CH3COO]- 300.14526 191.8
[M+Na-2H]- 262.10608 154.4
[M]+ 241.13086 160.3
[M]- 241.13196 160.3
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