CID 71743236

Tert-butyl (6s)-6-formyl-5-azaspiro[2.4]heptane-5-carboxylate

Structural Information

Molecular Formula
C12H19NO3
SMILES
CC(C)(C)OC(=O)N1CC2(CC2)C[C@H]1C=O
InChI
InChI=1S/C12H19NO3/c1-11(2,3)16-10(15)13-8-12(4-5-12)6-9(13)7-14/h7,9H,4-6,8H2,1-3H3/t9-/m0/s1
InChIKey
FLLMFXSFFYGQFI-VIFPVBQESA-N
Compound name
tert-butyl (6S)-6-formyl-5-azaspiro[2.4]heptane-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

25
Patents

225.13649 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.14377 156.3
[M+Na]+ 248.12571 165.3
[M-H]- 224.12921 161.4
[M+NH4]+ 243.17031 172.6
[M+K]+ 264.09965 163.2
[M+H-H2O]+ 208.13375 151.5
[M+HCOO]- 270.13469 174.5
[M+CH3COO]- 284.15034 189.8
[M+Na-2H]- 246.11116 159.6
[M]+ 225.13594 159.9
[M]- 225.13704 159.9
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