CID 126983696

2138511-20-1

Structural Information

Molecular Formula

C₁₁H₂₁NO

SMILES

C1CCCC2(CC1)CCC(O2)CN

InChI

InChI=1S/C11H21NO/c12-9-10-5-8-11(13-10)6-3-1-2-4-7-11/h10H,1-9,12H2

InChIKey

VGPFWAHZSFZEFJ-UHFFFAOYSA-N

Compound name

1-oxaspiro[4.6]undecan-2-ylmethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 183.16231 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]+	184.16959	140.5
[M+Na]+	206.15153	142.2
[M-H]-	182.15503	145.9
[M+NH4]+	201.19613	160.4
[M+K]+	222.12547	143.9
[M+H-H2O]+	166.15957	134.8
[M+HCOO]-	228.16051	158.1
[M+CH3COO]-	242.17616	151.4
[M+Na-2H]-	204.13698	144.1
[M]+	183.16176	130.4
[M]-	183.16286	130.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.