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: 6
Patents: 267.18344 Da
Monoisotopic Mass: 2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	268.190716	165.8
[M+Na]+	290.172658	170.2
[M-H]-	266.176164	169.0
[M+NH4]+	285.217263	185.0
[M+K]+	306.146598	168.6
[M+H-H2O]+	250.180700	160.0
[M+HCOO]-	312.181641	180.5
[M+CH3COO]-	326.197291	194.0
[M+Na-2H]-	288.158106	166.9
[M]+	267.18289142	162.5
[M]-	267.18398858	162.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe