CID 8168

N,n-dimethyldodecylamine

Structural Information

Molecular Formula

C₁₄H₃₁N

SMILES

CCCCCCCCCCCCN(C)C

InChI

InChI=1S/C14H31N/c1-4-5-6-7-8-9-10-11-12-13-14-15(2)3/h4-14H2,1-3H3

InChIKey

YWFWDNVOPHGWMX-UHFFFAOYSA-N

Compound name

N,N-dimethyldodecan-1-amine

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 34
References: 43440
Patents: 213.24565 Da
Monoisotopic Mass: 5.9
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]+	214.25293	159.9
[M+Na]+	236.23487	163.1
[M-H]-	212.23837	160.1
[M+NH4]+	231.27947	179.3
[M+K]+	252.20881	162.2
[M+H-H2O]+	196.24291	153.5
[M+HCOO]-	258.24385	182.5
[M+CH3COO]-	272.25950	199.9
[M+Na-2H]-	234.22032	162.1
[M]+	213.24510	164.7
[M]-	213.24620	164.7

Literature stripe

literature stripe

Patent stripe

patents stripe