CID 165822137

Tert-butyl 9-methyl-5-oxa-2,8-diazaspiro[3.5]nonane-2-carboxylate

Structural Information

Molecular Formula

C₁₂H₂₂N₂O₃

SMILES

CC1C2(CN(C2)C(=O)OC(C)(C)C)OCCN1

InChI

InChI=1S/C12H22N2O3/c1-9-12(16-6-5-13-9)7-14(8-12)10(15)17-11(2,3)4/h9,13H,5-8H2,1-4H3

InChIKey

MYAKPTGQXSDUGJ-UHFFFAOYSA-N

Compound name

tert-butyl 9-methyl-5-oxa-2,8-diazaspiro[3.5]nonane-2-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 242.16304 Da
Monoisotopic Mass: 0.4
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]+	243.170316	156.6
[M+Na]+	265.152258	160.4
[M-H]-	241.155764	158.0
[M+NH4]+	260.196863	165.4
[M+K]+	281.126198	163.5
[M+H-H2O]+	225.160300	145.4
[M+HCOO]-	287.161241	167.4
[M+CH3COO]-	301.176891	191.2
[M+Na-2H]-	263.137706	160.8
[M]+	242.16249142	162.5
[M]-	242.16358858	162.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.