CID 102090

Isodecylamine

Structural Information

Molecular Formula

C₁₀H₂₃N

SMILES

CC(C)CCCCCCCN

InChI

InChI=1S/C10H23N/c1-10(2)8-6-4-3-5-7-9-11/h10H,3-9,11H2,1-2H3

InChIKey

LJQFHDUFUVMPSP-UHFFFAOYSA-N

Compound name

8-methylnonan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 820
Patents: 157.18304 Da
Monoisotopic Mass: 3.9
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]+	158.190316	142.5
[M+Na]+	180.172258	147.0
[M-H]-	156.175764	141.6
[M+NH4]+	175.216863	163.1
[M+K]+	196.146198	145.8
[M+H-H2O]+	140.180300	137.1
[M+HCOO]-	202.181241	164.3
[M+CH3COO]-	216.196891	184.3
[M+Na-2H]-	178.157706	145.3
[M]+	157.18249142	142.8
[M]-	157.18358858	142.8

Literature stripe

literature stripe

Patent stripe

patents stripe