CID 13492945

578008-82-9

Structural Information

Molecular Formula

C₁₀H₂₃N

SMILES

CC(C)CCCC(C)CCN

InChI

InChI=1S/C10H23N/c1-9(2)5-4-6-10(3)7-8-11/h9-10H,4-8,11H2,1-3H3

InChIKey

PPKSYRUVTABEIE-UHFFFAOYSA-N

Compound name

3,7-dimethyloctan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 578
Patents: 157.18304 Da
Monoisotopic Mass: 3.4
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	143.2
[M+Na]+	180.172258	147.4
[M-H]-	156.175764	142.3
[M+NH4]+	175.216863	163.8
[M+K]+	196.146198	146.7
[M+H-H2O]+	140.180300	137.9
[M+HCOO]-	202.181241	164.0
[M+CH3COO]-	216.196891	185.2
[M+Na-2H]-	178.157706	144.6
[M]+	157.18249142	142.8
[M]-	157.18358858	142.8

Literature stripe

literature stripe

Patent stripe

patents stripe