CID 137966089

2230807-43-7

Structural Information

Molecular Formula

C₁₀H₁₇NO

SMILES

C1CC2(C1)CNCC3(O2)CCC3

InChI

InChI=1S/C10H17NO/c1-3-9(4-1)7-11-8-10(12-9)5-2-6-10/h11H,1-8H2

InChIKey

WEOHWUXPZOEPKY-UHFFFAOYSA-N

Compound name

5-oxa-11-azadispiro[3.1.36.34]dodecane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 167.13101 Da
Monoisotopic Mass: 0.9
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]+	168.13829	125.0
[M+Na]+	190.12023	128.1
[M-H]-	166.12373	129.8
[M+NH4]+	185.16483	133.2
[M+K]+	206.09417	132.6
[M+H-H2O]+	150.12827	112.0
[M+HCOO]-	212.12921	137.9
[M+CH3COO]-	226.14486	186.4
[M+Na-2H]-	188.10568	133.3
[M]+	167.13046	135.0
[M]-	167.13156	135.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe