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: 8
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]+	168.174676	140.4
[M+Na]+	190.156618	142.8
[M-H]-	166.160124	143.9
[M+NH4]+	185.201223	162.0
[M+K]+	206.130558	140.5
[M+H-H2O]+	150.164660	134.2
[M+HCOO]-	212.165601	157.4
[M+CH3COO]-	226.181251	179.2
[M+Na-2H]-	188.142066	144.7
[M]+	167.16685142	129.0
[M]-	167.16794858	129.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe