CID 3019878

Schembl10600948

Structural Information

Molecular Formula

C₁₀H₂₁NO

SMILES

CC(=CCN)CCCC(C)(C)O

InChI

InChI=1S/C10H21NO/c1-9(6-8-11)5-4-7-10(2,3)12/h6,12H,4-5,7-8,11H2,1-3H3

InChIKey

RJZZKFVNBRIPQD-UHFFFAOYSA-N

Compound name

8-amino-2,6-dimethyloct-6-en-2-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 171.16231 Da
Monoisotopic Mass: 1.3
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]+	172.169586	144.5
[M+Na]+	194.151528	149.4
[M-H]-	170.155034	142.5
[M+NH4]+	189.196133	163.9
[M+K]+	210.125468	147.5
[M+H-H2O]+	154.159570	139.9
[M+HCOO]-	216.160511	163.8
[M+CH3COO]-	230.176161	182.3
[M+Na-2H]-	192.136976	147.4
[M]+	171.16176142	143.0
[M]-	171.16285858	143.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe