CID 8471

Triethylamine

Structural Information

Molecular Formula

C₆H₁₅N

SMILES

CCN(CC)CC

InChI

InChI=1S/C6H15N/c1-4-7(5-2)6-3/h4-6H2,1-3H3

InChIKey

ZMANZCXQSJIPKH-UHFFFAOYSA-N

Compound name

N,N-diethylethanamine

Related CIDs

2D Structure

compound 2d structure

8
Annotation Hits: 2993
References: 375651
Patents: 101.12045 Da
Monoisotopic Mass: 1.4
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]+	102.12773	122.7
[M+Na]+	124.10967	129.2
[M-H]-	100.11317	124.5
[M+NH4]+	119.15427	146.5
[M+K]+	140.08361	130.5
[M+H-H2O]+	84.117710	117.9
[M+HCOO]-	146.11865	148.0
[M+CH3COO]-	160.13430	175.7
[M+Na-2H]-	122.09512	129.3
[M]+	101.11990	124.4
[M]-	101.12100	124.4

Literature stripe

literature stripe

Patent stripe

patents stripe