CID 89238

19867-34-6

Structural Information

Molecular Formula

C₁₃H₁₇NO

SMILES

C1CN(CCC12CO2)CC3=CC=CC=C3

InChI

InChI=1S/C13H17NO/c1-2-4-12(5-3-1)10-14-8-6-13(7-9-14)11-15-13/h1-5H,6-11H2

InChIKey

KJKHFQBTYMJFNP-UHFFFAOYSA-N

Compound name

6-benzyl-1-oxa-6-azaspiro[2.5]octane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 186
Patents: 203.13101 Da
Monoisotopic Mass: 1.8
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]+	204.13829	149.0
[M+Na]+	226.12023	156.6
[M-H]-	202.12373	157.0
[M+NH4]+	221.16483	162.5
[M+K]+	242.09417	155.6
[M+H-H2O]+	186.12827	140.9
[M+HCOO]-	248.12921	167.6
[M+CH3COO]-	262.14486	160.8
[M+Na-2H]-	224.10568	156.8
[M]+	203.13046	148.1
[M]-	203.13156	148.1

Literature stripe

literature stripe

Patent stripe

patents stripe