CID 118997502

Tert-butyl 6-formyl-1-azaspiro[3.3]heptane-1-carboxylate

Structural Information

Molecular Formula
C12H19NO3
SMILES
CC(C)(C)OC(=O)N1CCC12CC(C2)C=O
InChI
InChI=1S/C12H19NO3/c1-11(2,3)16-10(15)13-5-4-12(13)6-9(7-12)8-14/h8-9H,4-7H2,1-3H3
InChIKey
OHASNYVIONUZJJ-UHFFFAOYSA-N
Compound name
tert-butyl 6-formyl-1-azaspiro[3.3]heptane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

225.13649 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.14377 147.0
[M+Na]+ 248.12571 150.9
[M-H]- 224.12921 150.9
[M+NH4]+ 243.17031 153.1
[M+K]+ 264.09965 155.8
[M+H-H2O]+ 208.13375 133.6
[M+HCOO]- 270.13469 161.7
[M+CH3COO]- 284.15034 200.0
[M+Na-2H]- 246.11116 150.7
[M]+ 225.13594 164.2
[M]- 225.13704 164.2
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

No patent data available for this compound.