CID 3016807

Citronellylamine

Structural Information

Molecular Formula

C₁₀H₂₁N

SMILES

CC(CCC=C(C)C)CCN

InChI

InChI=1S/C10H21N/c1-9(2)5-4-6-10(3)7-8-11/h5,10H,4,6-8,11H2,1-3H3

InChIKey

UFMXUNXYYDTTSW-UHFFFAOYSA-N

Compound name

3,7-dimethyloct-6-en-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 44
Patents: 155.1674 Da
Monoisotopic Mass: 2.9
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]+	156.17468	141.8
[M+Na]+	178.15662	146.4
[M-H]-	154.16012	141.0
[M+NH4]+	173.20122	162.4
[M+K]+	194.13056	145.1
[M+H-H2O]+	138.16466	136.6
[M+HCOO]-	200.16560	162.8
[M+CH3COO]-	214.18125	183.5
[M+Na-2H]-	176.14207	143.3
[M]+	155.16685	140.6
[M]-	155.16795	140.6

Literature stripe

literature stripe

Patent stripe

patents stripe