CID 72207958

1403767-18-9

Structural Information

Molecular Formula

C₁₄H₂₆N₂O₂

SMILES

CC(C)(C)OC(=O)N1CCCC2(CCCN2)CC1

InChI

InChI=1S/C14H26N2O2/c1-13(2,3)18-12(17)16-10-5-7-14(8-11-16)6-4-9-15-14/h15H,4-11H2,1-3H3

InChIKey

OWZXTCUXFLJUDF-UHFFFAOYSA-N

Compound name

tert-butyl 1,9-diazaspiro[4.6]undecane-9-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 254.19943 Da
Monoisotopic Mass: 1.9
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]+	255.20671	160.3
[M+Na]+	277.18865	162.1
[M-H]-	253.19215	161.8
[M+NH4]+	272.23325	176.4
[M+K]+	293.16259	163.0
[M+H-H2O]+	237.19669	152.6
[M+HCOO]-	299.19763	171.8
[M+CH3COO]-	313.21328	190.2
[M+Na-2H]-	275.17410	161.6
[M]+	254.19888	151.1
[M]-	254.19998	151.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe