CID 111882

Primene jm-t

Structural Information

Molecular Formula

C₁₉H₄₁N

SMILES

CC(C)(C)CCCCCCCCCCCCCCCN

InChI

InChI=1S/C19H41N/c1-19(2,3)17-15-13-11-9-7-5-4-6-8-10-12-14-16-18-20/h4-18,20H2,1-3H3

InChIKey

JRBAVVHMQRKGLN-UHFFFAOYSA-N

Compound name

16,16-dimethylheptadecan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 535
Patents: 283.3239 Da
Monoisotopic Mass: 8.6
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]+	284.33118	182.6
[M+Na]+	306.31312	184.1
[M-H]-	282.31662	180.2
[M+NH4]+	301.35772	198.5
[M+K]+	322.28706	180.5
[M+H-H2O]+	266.32116	176.1
[M+HCOO]-	328.32210	201.0
[M+CH3COO]-	342.33775	210.4
[M+Na-2H]-	304.29857	182.5
[M]+	283.32335	186.5
[M]-	283.32445	186.5

Literature stripe

literature stripe

Patent stripe

patents stripe