CID 122199562

Tert-butyl 5-formyl-2-azaspiro[3.3]heptane-2-carboxylate

Structural Information

Molecular Formula
C12H19NO3
SMILES
CC(C)(C)OC(=O)N1CC2(C1)CCC2C=O
InChI
InChI=1S/C12H19NO3/c1-11(2,3)16-10(15)13-7-12(8-13)5-4-9(12)6-14/h6,9H,4-5,7-8H2,1-3H3
InChIKey
LKQWMJOUDZLUOM-UHFFFAOYSA-N
Compound name
tert-butyl 7-formyl-2-azaspiro[3.3]heptane-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

225.13649 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.14377 159.2
[M+Na]+ 248.12571 159.1
[M+NH4]+ 243.17031 158.9
[M+K]+ 264.09965 157.3
[M-H]- 224.12921 153.5
[M+Na-2H]- 246.11116 157.8
[M]+ 225.13594 155.3
[M]- 225.13704 155.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

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No patent data available for this compound.