CID 19957378

Spiro[5.5]undecan-1-amine

Structural Information

Molecular Formula

C₁₁H₂₁N

SMILES

C1CCC2(CC1)CCCCC2N

InChI

InChI=1S/C11H21N/c12-10-6-2-5-9-11(10)7-3-1-4-8-11/h10H,1-9,12H2

InChIKey

WDIVXYOUSUTMSD-UHFFFAOYSA-N

Compound name

spiro[5.5]undecan-5-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 167.1674 Da
Monoisotopic Mass: 3.0
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]+	168.17468	141.6
[M+Na]+	190.15662	151.2
[M+NH4]+	185.20122	153.3
[M+K]+	206.13056	142.1
[M-H]-	166.16012	146.2
[M+Na-2H]-	188.14207	148.6
[M]+	167.16685	144.3
[M]-	167.16795	144.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe