CID 21483267

Spiro[5.5]undecan-2-amine hydrochloride

Structural Information

Molecular Formula

C₁₁H₂₁N

SMILES

C1CCC2(CC1)CCCC(C2)N

InChI

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

InChIKey

KCGFNQXJENWZMG-UHFFFAOYSA-N

Compound name

spiro[5.5]undecan-4-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 167.1674 Da
Monoisotopic Mass: 3.3
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	140.4
[M+Na]+	190.15662	142.8
[M-H]-	166.16012	143.9
[M+NH4]+	185.20122	162.0
[M+K]+	206.13056	140.5
[M+H-H2O]+	150.16466	134.2
[M+HCOO]-	212.16560	157.4
[M+CH3COO]-	226.18125	179.2
[M+Na-2H]-	188.14207	144.7
[M]+	167.16685	129.0
[M]-	167.16795	129.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe