CID 146080997

2171965-43-6

Structural Information

Molecular Formula

C₁₄H₂₆N₂O₄

SMILES

CC(C)(C)OC(=O)N1CCC2(CC1)COCC(O2)CN

InChI

InChI=1S/C14H26N2O4/c1-13(2,3)20-12(17)16-6-4-14(5-7-16)10-18-9-11(8-15)19-14/h11H,4-10,15H2,1-3H3

InChIKey

PHAPVYMZJHFXMB-UHFFFAOYSA-N

Compound name

tert-butyl 2-(aminomethyl)-1,4-dioxa-9-azaspiro[5.5]undecane-9-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 286.18927 Da
Monoisotopic Mass: 0.1
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]+	287.196546	169.0
[M+Na]+	309.178488	171.8
[M-H]-	285.181994	172.6
[M+NH4]+	304.223093	182.3
[M+K]+	325.152428	173.4
[M+H-H2O]+	269.186530	162.1
[M+HCOO]-	331.187471	180.4
[M+CH3COO]-	345.203121	199.5
[M+Na-2H]-	307.163936	173.3
[M]+	286.18872142	164.9
[M]-	286.18981858	164.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.