CID 9834677

Tert-butyl 2-hydroxy-7-azaspiro[3.5]nonane-7-carboxylate

Structural Information

Molecular Formula

C₁₃H₂₃NO₃

SMILES

CC(C)(C)OC(=O)N1CCC2(CC1)CC(C2)O

InChI

InChI=1S/C13H23NO3/c1-12(2,3)17-11(16)14-6-4-13(5-7-14)8-10(15)9-13/h10,15H,4-9H2,1-3H3

InChIKey

QTKGBUXGQNHIIM-UHFFFAOYSA-N

Compound name

tert-butyl 2-hydroxy-7-azaspiro[3.5]nonane-7-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 412
Patents: 241.1678 Da
Monoisotopic Mass: 1.6
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]+	242.175076	157.4
[M+Na]+	264.157018	160.8
[M-H]-	240.160524	159.5
[M+NH4]+	259.201623	168.9
[M+K]+	280.130958	162.7
[M+H-H2O]+	224.165060	147.2
[M+HCOO]-	286.166001	170.1
[M+CH3COO]-	300.181651	191.4
[M+Na-2H]-	262.142466	160.4
[M]+	241.16725142	162.7
[M]-	241.16834858	162.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe