CID 165990368

Tert-butyl 1-formyl-7-azaspiro[3.5]nonane-7-carboxylate

Structural Information

Molecular Formula
C14H23NO3
SMILES
CC(C)(C)OC(=O)N1CCC2(CCC2C=O)CC1
InChI
InChI=1S/C14H23NO3/c1-13(2,3)18-12(17)15-8-6-14(7-9-15)5-4-11(14)10-16/h10-11H,4-9H2,1-3H3
InChIKey
RWIZXBRTVLKGBT-UHFFFAOYSA-N
Compound name
tert-butyl 3-formyl-7-azaspiro[3.5]nonane-7-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

253.1678 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.17508 159.1
[M+Na]+ 276.15702 162.9
[M-H]- 252.16052 162.5
[M+NH4]+ 271.20162 170.8
[M+K]+ 292.13096 164.8
[M+H-H2O]+ 236.16506 148.6
[M+HCOO]- 298.16600 173.2
[M+CH3COO]- 312.18165 195.9
[M+Na-2H]- 274.14247 162.2
[M]+ 253.16725 165.9
[M]- 253.16835 165.9
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

No patent data available for this compound.