CID 16224

N,n-dimethyloctylamine

Structural Information

Molecular Formula

C₁₀H₂₃N

SMILES

CCCCCCCCN(C)C

InChI

InChI=1S/C10H23N/c1-4-5-6-7-8-9-10-11(2)3/h4-10H2,1-3H3

InChIKey

UQKAOOAFEFCDGT-UHFFFAOYSA-N

Compound name

N,N-dimethyloctan-1-amine

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 13
References: 10698
Patents: 157.18304 Da
Monoisotopic Mass: 4.2
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]+	158.19032	141.4
[M+Na]+	180.17226	146.3
[M-H]-	156.17576	142.4
[M+NH4]+	175.21686	163.1
[M+K]+	196.14620	146.5
[M+H-H2O]+	140.18030	135.8
[M+HCOO]-	202.18124	165.4
[M+CH3COO]-	216.19689	187.8
[M+Na-2H]-	178.15771	145.8
[M]+	157.18249	144.7
[M]-	157.18359	144.7

Literature stripe

literature stripe

Patent stripe

patents stripe