CID 117886823

Tert-butyl 2-formyl-8-azaspiro[4.5]decane-8-carboxylate

Structural Information

Molecular Formula
C15H25NO3
SMILES
CC(C)(C)OC(=O)N1CCC2(CCC(C2)C=O)CC1
InChI
InChI=1S/C15H25NO3/c1-14(2,3)19-13(18)16-8-6-15(7-9-16)5-4-12(10-15)11-17/h11-12H,4-10H2,1-3H3
InChIKey
AXNQHZRHIOTEGL-UHFFFAOYSA-N
Compound name
tert-butyl 3-formyl-8-azaspiro[4.5]decane-8-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

267.18344 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.19072 165.8
[M+Na]+ 290.17266 170.2
[M-H]- 266.17616 169.0
[M+NH4]+ 285.21726 185.0
[M+K]+ 306.14660 168.6
[M+H-H2O]+ 250.18070 160.0
[M+HCOO]- 312.18164 180.5
[M+CH3COO]- 326.19729 194.0
[M+Na-2H]- 288.15811 166.9
[M]+ 267.18289 162.5
[M]- 267.18399 162.5
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